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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">1,1′-Binaphthalene-2,2′-diyl hydrogen phosphate</title><author><name sortKey="Nayak, Susanta K" sort="Nayak, Susanta K" uniqKey="Nayak S" first="Susanta K." last="Nayak">Susanta K. Nayak</name><affiliation><nlm:aff id="a">Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, Karnataka,<country>India</country></nlm:aff></affiliation></author><author><name sortKey="Chandrasekhar, S" sort="Chandrasekhar, S" uniqKey="Chandrasekhar S" first="S." last="Chandrasekhar">S. Chandrasekhar</name><affiliation><nlm:aff id="b">Department of Organic Chemistry, Indian Institute of Science, Bangalore 560 012,<country>India</country></nlm:aff></affiliation></author><author><name sortKey="Row, T N Guru" sort="Row, T N Guru" uniqKey="Row T" first="T. N. Guru" last="Row">T. N. Guru Row</name><affiliation><nlm:aff id="a">Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, Karnataka,<country>India</country></nlm:aff></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">PMC</idno><idno type="pmid">21200821</idno><idno type="pmc">2915313</idno><idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2915313</idno><idno type="RBID">PMC:2915313</idno><idno type="doi">10.1107/S1600536807064343</idno><date when="2007">2007</date><idno type="wicri:Area/Pmc/Corpus">000999</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">000999</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">1,1′-Binaphthalene-2,2′-diyl hydrogen phosphate</title><author><name sortKey="Nayak, Susanta K" sort="Nayak, Susanta K" uniqKey="Nayak S" first="Susanta K." last="Nayak">Susanta K. Nayak</name><affiliation><nlm:aff id="a">Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, Karnataka,<country>India</country></nlm:aff></affiliation></author><author><name sortKey="Chandrasekhar, S" sort="Chandrasekhar, S" uniqKey="Chandrasekhar S" first="S." last="Chandrasekhar">S. Chandrasekhar</name><affiliation><nlm:aff id="b">Department of Organic Chemistry, Indian Institute of Science, Bangalore 560 012,<country>India</country></nlm:aff></affiliation></author><author><name sortKey="Row, T N Guru" sort="Row, T N Guru" uniqKey="Row T" first="T. N. Guru" last="Row">T. N. Guru Row</name><affiliation><nlm:aff id="a">Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, Karnataka,<country>India</country></nlm:aff></affiliation></author></analytic><series><title level="j">Acta Crystallographica Section E: Structure Reports Online</title><idno type="eISSN">1600-5368</idno><imprint><date when="2007">2007</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en"><p>The title compound, racemic bnppa, C<sub>20</sub>H<sub>13</sub>O<sub>4</sub>P, crystallizes with four molecules in the asymmetric unit. Two independent centrosymmetric O—H⋯O hydrogen-bonded tetramers, each involving two of the symmetry-independent molecules in the asymmetric unit generate the packing motif in the crystal structure. The hydrophobic parts of the tetramers connect to their neighbours <italic>via</italic> C—H⋯π and π–π interactions [3.899 (2), 3.895 (2) and 3.803 (2) Å within the symmetric unit, 3.851 (2), 4.000 (2), 3.988 (2) and 3.905 (2) Å across centres of symmetry].</p></div></front><back><div1 type="bibliography"><listBibl><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct></listBibl></div1></back></TEI><pmc article-type="research-article"><pmc-dir>properties open_access</pmc-dir>
<front><journal-meta><journal-id journal-id-type="nlm-ta">Acta Crystallogr Sect E Struct Rep Online</journal-id><journal-id journal-id-type="publisher-id">Acta Cryst. E</journal-id><journal-title-group><journal-title>Acta Crystallographica Section E: Structure Reports Online</journal-title></journal-title-group><issn pub-type="epub">1600-5368</issn><publisher><publisher-name>International Union of Crystallography</publisher-name></publisher></journal-meta><article-meta><article-id pub-id-type="pmid">21200821</article-id><article-id pub-id-type="pmc">2915313</article-id><article-id pub-id-type="publisher-id">ln2013</article-id><article-id pub-id-type="doi">10.1107/S1600536807064343</article-id><article-id pub-id-type="coden">ACSEBH</article-id><article-id pub-id-type="pii">S1600536807064343</article-id><article-categories><subj-group subj-group-type="heading"><subject>Organic Papers</subject></subj-group></article-categories><title-group><article-title>1,1′-Binaphthalene-2,2′-diyl hydrogen phosphate</article-title><alt-title><italic>C<sub>20</sub>H<sub>13</sub>O<sub>4</sub>P</italic></alt-title></title-group><contrib-group><contrib contrib-type="author"><name><surname>Nayak</surname><given-names>Susanta K.</given-names></name><xref ref-type="aff" rid="a">a</xref></contrib><contrib contrib-type="author"><name><surname>Chandrasekhar</surname><given-names>S.</given-names></name><xref ref-type="aff" rid="b">b</xref></contrib><contrib contrib-type="author"><name><surname>Row</surname><given-names>T. N. Guru</given-names></name><xref ref-type="aff" rid="a">a</xref><xref ref-type="corresp" rid="cor">*</xref></contrib><aff id="a"><label>a</label>Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, Karnataka,<country>India</country></aff><aff id="b"><label>b</label>Department of Organic Chemistry, Indian Institute of Science, Bangalore 560 012,<country>India</country></aff></contrib-group><author-notes><corresp id="cor">Correspondence e-mail: <email>ssctng@sscu.iisc.ernet.in</email></corresp></author-notes><pub-date pub-type="collection"><day>01</day><month>1</month><year>2008</year></pub-date><pub-date pub-type="epub"><day>12</day><month>12</month><year>2007</year></pub-date><pub-date pub-type="pmc-release"><day>12</day><month>12</month><year>2007</year></pub-date><pmc-comment> PMC Release delay is 0 months and 0 days and was based on the
<volume>64</volume><issue>Pt 1</issue><issue-id pub-id-type="publisher-id">e080100</issue-id><fpage>o256</fpage><lpage>o256</lpage><history><date date-type="received"><day>22</day><month>11</month><year>2007</year></date><date date-type="accepted"><day>29</day><month>11</month><year>2007</year></date></history><permissions><copyright-statement>© International Union of Crystallography 2008</copyright-statement><copyright-year>2008</copyright-year><license license-type="open-access" xlink:href="http://journals.iucr.org/services/termsofuse.html"><license-p>This is an open-access article distributed under the terms described at http://journals.iucr.org/services/termsofuse.html.</license-p></license></permissions><self-uri xlink:type="simple" xlink:href="http://dx.doi.org/10.1107/S1600536807064343">A full version of this article is available from Crystallography Journals Online.</self-uri><abstract><p>The title compound, racemic bnppa, C<sub>20</sub>H<sub>13</sub>O<sub>4</sub>P, crystallizes with four molecules in the asymmetric unit. Two independent centrosymmetric O—H⋯O hydrogen-bonded tetramers, each involving two of the symmetry-independent molecules in the asymmetric unit generate the packing motif in the crystal structure. The hydrophobic parts of the tetramers connect to their neighbours <italic>via</italic> C—H⋯π and π–π interactions [3.899 (2), 3.895 (2) and 3.803 (2) Å within the symmetric unit, 3.851 (2), 4.000 (2), 3.988 (2) and 3.905 (2) Å across centres of symmetry].</p></abstract></article-meta></front><body><sec id="sec1"><title>Related literature</title><p>For details on bnppa as an optical resolution agent of amines, see: Fujii & Hirayamma (2002<xref ref-type="bibr" rid="bb7"> ▶</xref>); Arnold <italic>et al.</italic> (1983<xref ref-type="bibr" rid="bb2"> ▶</xref>); Wilen <italic>et al.</italic> (1991<xref ref-type="bibr" rid="bb13"> ▶</xref>). For the conglomerate nature of racemates, see: Jacques <italic>et al.</italic> (1981<xref ref-type="bibr" rid="bb8"> ▶</xref>). For related literature, see: An <italic>et al.</italic> (1996<xref ref-type="bibr" rid="bb1"> ▶</xref>); Bernstein <italic>et al.</italic> (1995<xref ref-type="bibr" rid="bb3"> ▶</xref>); Etter & Baures (1988<xref ref-type="bibr" rid="bb5"> ▶</xref>).<chem-struct id="scheme1"><graphic xlink:href="e-64-0o256-scheme1.jpg" position="float"></graphic></chem-struct></p></sec><sec sec-type="" id="sec2"><title>Experimental</title><sec id="sec2.1"><title></title><sec id="sec2.1.1"><title>Crystal data</title><p><list list-type="simple"><list-item><p>C<sub>20</sub>H<sub>13</sub>O<sub>4</sub>P</p></list-item><list-item><p><italic>M</italic><italic><sub>r</sub></italic> = 348.27</p></list-item><list-item><p>Triclinic, <inline-formula><inline-graphic xlink:href="e-64-0o256-efi1.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula></p></list-item><list-item><p><italic>a</italic> = 14.2152 (14) Å</p></list-item><list-item><p><italic>b</italic> = 14.6480 (14) Å</p></list-item><list-item><p><italic>c</italic> = 15.6397 (15) Å</p></list-item><list-item><p>α = 87.710 (2)°</p></list-item><list-item><p>β = 88.074 (2)°</p></list-item><list-item><p>γ = 83.952 (2)°</p></list-item><list-item><p><italic>V</italic> = 3234.4 (5) Å<sup>3</sup></p></list-item><list-item><p><italic>Z</italic> = 8</p></list-item><list-item><p>Mo <italic>K</italic>α radiation</p></list-item><list-item><p>μ = 0.19 mm<sup>−1</sup></p></list-item><list-item><p><italic>T</italic> = 292 (2) K</p></list-item><list-item><p>0.31 × 0.07 × 0.06 mm</p></list-item></list></p></sec><sec id="sec2.1.2"><title>Data collection</title><p><list list-type="simple"><list-item><p>Bruker SMART CCD area-detector diffractometer</p></list-item><list-item><p>Absorption correction: multi-scan (<italic>SADABS</italic>; Sheldrick, 1996<xref ref-type="bibr" rid="bb9"> ▶</xref>) <italic>T</italic><sub>min</sub> = 0.939, <italic>T</italic><sub>max</sub> = 0.989</p></list-item><list-item><p>32848 measured reflections</p></list-item><list-item><p>12219 independent reflections</p></list-item><list-item><p>7419 reflections with <italic>I</italic> > 2σ(<italic>I</italic>)</p></list-item><list-item><p><italic>R</italic><sub>int</sub> = 0.053</p></list-item></list></p></sec><sec id="sec2.1.3"><title>Refinement</title><p><list list-type="simple"><list-item><p><italic>R</italic>[<italic>F</italic><sup>2</sup> > 2σ(<italic>F</italic><sup>2</sup>)] = 0.068</p></list-item><list-item><p><italic>wR</italic>(<italic>F</italic><sup>2</sup>) = 0.160</p></list-item><list-item><p><italic>S</italic> = 1.06</p></list-item><list-item><p>12219 reflections</p></list-item><list-item><p>901 parameters</p></list-item><list-item><p>H-atom parameters constrained</p></list-item><list-item><p>Δρ<sub>max</sub> = 0.31 e Å<sup>−3</sup></p></list-item><list-item><p>Δρ<sub>min</sub> = −0.34 e Å<sup>−3</sup></p></list-item></list></p></sec></sec><sec id="d5e528"><title></title><p>Data collection: <italic>SMART</italic> (Bruker, 2004<xref ref-type="bibr" rid="bb4"> ▶</xref>); cell refinement: <italic>SAINT</italic> (Bruker, 2004<xref ref-type="bibr" rid="bb4"> ▶</xref>); data reduction: <italic>SAINT</italic>; program(s) used to solve structure: <italic>WinGX</italic> (Farrugia, 1999<xref ref-type="bibr" rid="bb6"> ▶</xref>); program(s) used to refine structure: <italic>SHELXL97</italic> (Sheldrick, 1997<xref ref-type="bibr" rid="bb10"> ▶</xref>); molecular graphics: <italic>ORTEP-3 for Windows</italic> (Farrugia, 1999<xref ref-type="bibr" rid="bb6"> ▶</xref>) and <italic>CAMERON</italic> (Watkin <italic>et al.</italic>, 1993<xref ref-type="bibr" rid="bb12"> ▶</xref>); software used to prepare material for publication: <italic>PLATON</italic> (Spek, 2003<xref ref-type="bibr" rid="bb11"> ▶</xref>).</p></sec></sec><sec sec-type="supplementary-material"><title>Supplementary Material</title><supplementary-material content-type="local-data" xlink:href="e-64-0o256-sup1.cif" position="float" xlink:type="simple"><p>Crystal structure: contains datablocks global, I. DOI: <ext-link ext-link-type="uri" xlink:type="simple" xlink:href="http://dx.doi.org/10.1107/S1600536807064343/ln2013sup1.cif">10.1107/S1600536807064343/ln2013sup1.cif</ext-link></p><media mimetype="chemical" mime-subtype="x-cif" xlink:href="e-64-0o256-sup1.cif" position="float" xlink:type="simple"></media></supplementary-material><supplementary-material content-type="local-data" xlink:href="e-64-0o256-Isup2.hkl" position="float" xlink:type="simple"><p>Structure factors: contains datablocks I. DOI: <ext-link ext-link-type="uri" xlink:type="simple" xlink:href="http://dx.doi.org/10.1107/S1600536807064343/ln2013Isup2.hkl">10.1107/S1600536807064343/ln2013Isup2.hkl</ext-link></p><media mimetype="text" mime-subtype="plain" xlink:href="e-64-0o256-Isup2.hkl" position="float" xlink:type="simple"></media></supplementary-material><supplementary-material position="float" xlink:type="simple"><p>Additional supplementary materials: <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/sendsupfiles?ln2013&file=ln2013sup0.html&mime=text/html" xlink:type="simple"> crystallographic information</ext-link>; <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/sendcif?ln2013sup1&Qmime=cif" xlink:type="simple">3D view</ext-link>; <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/paper?ln2013&checkcif=yes" xlink:type="simple">checkCIF report</ext-link></p></supplementary-material></sec></body><back><fn-group><fn id="fnu1"><p>Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/sendsup?ln2013">LN2013</ext-link>).</p></fn></fn-group><ack><p>The authors thank DST-IRHPA for the CCD X-ray facility at IISc and CSIR (SRF), India, for financial support.</p></ack><app-group><app><title>supplementary crystallographic
information</title><sec id="comment"><title>Comment </title><p>We have been investigating the conglomerate nature of racemates in our
laboratory, as very few structures show the features of conglomerates (Jacques
<italic>et al.</italic>, 1981). Optically active 1,1'-binaphthalene-2,2'-diyl hydrogen
phosphate (bnppa) has been used as a good optical resolution agent for amines
(Fujii <italic>et al.</italic>, 2002; Arnold <italic>et al.</italic>, 1983; Wilen <italic>et al.</italic>,
1991). However, the procedure adopted in the preparation yields only racemic
bnppa crystals (Scheme).</p><p>The compound crystallizes in a triclinic space group <italic>P</italic>-1, with <italic>Z</italic>= 8. Of the four molecules in the asymmetric unit (Fig. 1), pairs are
connected through intermolecular O—H···O hydrogen bonds (Table 1) and two
such motifs form independent centrosymmetric tetramers (Fig. 2) though
additional O—H···O hydrogen bonds. The packing in the crystal structure is
hence through tetrameric O—H···O hydrogen bonded systems [Etter's graph set
symbol <italic>R</italic><sub>4</sub><sup>4</sup>(16)] (Bernstein <italic>et al.</italic>, 1995). Further, the
hydrophobic parts of the symmetry-independent parts of the tetramers are
linked <italic>via</italic> C—H···π interactions [C27—H27···π
(C64/C65/C66/C67/C68/C69) = 2.75 Å, C54—H54···π
(C12/C13/C14/C14/C15/C16/C17 = 2.77 Å)]. There are several π···π
interactions within the symmetric unit [3.899 (2), 3.895 (2) and 3.803 (2) Å],
as well as others across centres of symmetry [3.851 (2), 4.000 (2), 3.988 (2) and
3.905 (2) Å]. Table 1 lists all O—H···0 hydrogen bonds along with two
C—H..O interactions which form as a consequence of tetramer formation.</p></sec><sec id="experimental"><title>Experimental </title><p>Racemic binaphthylphosphoylchloride (29.2 g, 80 mmol) prepared by a known
procedure (An <italic>et al.</italic>, 1996) was dissolved in 1.4 l. of 2% Na<sub>2</sub>CO<sub>3</sub>solution and heated until a clear solution formed. The solution, on keeping at
273 K for 12 h, yields a grey precipitate. The precipitate was collected by
filtration, washed with 100 ml of 2% Na<sub>2</sub>CO<sub>3</sub> solution and suspended in 650 ml of water. 50 ml of conc. HCl was then added to this while stirring. The
mixture was heated to 368 K for 5 minutes and was kept at 277 K for 14 h. The
resulting white crystalline mass was separated by filtration followed by
washing with cold water and dried to obtain bnppa in 59.2% yield (m.p. 621 K).
Plate-like colourless crystals of bnppa were grown in acetonitrile and water
(2:1 <italic>v</italic>/<italic>v</italic>) with triphenyphosphine oxide as an additive promotor
in the ratio 50:50 (Etter <italic>et al.</italic>, 1988) by slow evaporation at room
temperature.</p></sec><sec id="refinement"><title>Refinement </title><p>All H atoms were positioned geometrically, (C—H = 0.93 Å, O—H = 0.82 Å)
and refined using a riding model with <italic>U</italic><sub>iso</sub>(H)= 1.2 <italic>U</italic><sub>eq</sub>(C) or
1.5 <italic>U</italic><sub>eq</sub>(O).</p></sec><sec id="figures"><title>Figures</title><fig id="Fap1"><label>Fig. 1.</label><caption><p>The four molecules in the asymmetric unit with O—H···O hydrogen bonds and 50% probability displacement ellipsoids. H atoms have been omitted for clarity.</p></caption><graphic xlink:href="e-64-0o256-fig1"></graphic></fig><fig id="Fap2"><label>Fig. 2.</label><caption><p>The molecular packing showing the O—H···O hydrogen bonds which create tetramers with the R44(16) motif.</p></caption><graphic xlink:href="e-64-0o256-fig2"></graphic></fig></sec><sec id="tablewrapcrystaldatalong"><title>Crystal data</title><table-wrap position="anchor" id="d1e190"><table rules="all" frame="box" style="table-layout:fixed" summary=""><colgroup span="2"><col span="1"></col><col span="1"></col></colgroup><tr><td rowspan="1" colspan="1">C<sub>20</sub>H<sub>13</sub>O<sub>4</sub>P</td><td rowspan="1" colspan="1"><italic>Z</italic> = 8</td></tr><tr><td rowspan="1" colspan="1"><italic>M</italic><italic><sub>r</sub></italic> = 348.27</td><td rowspan="1" colspan="1"><italic>F</italic><sub>000</sub> = 1440</td></tr><tr><td rowspan="1" colspan="1">Triclinic, <italic>P</italic>1</td><td rowspan="1" colspan="1"><italic>D</italic><sub>x</sub> = 1.430 Mg m<sup>−</sup><sup>3</sup></td></tr><tr><td rowspan="1" colspan="1">Hall symbol: -P 1</td><td rowspan="1" colspan="1">Melting point: 348 K</td></tr><tr><td rowspan="1" colspan="1"><italic>a</italic> = 14.2152 (14) Å</td><td rowspan="1" colspan="1">Mo <italic>K</italic>α radiation λ = 0.71073 Å</td></tr><tr><td rowspan="1" colspan="1"><italic>b</italic> = 14.6480 (14) Å</td><td rowspan="1" colspan="1">Cell parameters from 640 reflections</td></tr><tr><td rowspan="1" colspan="1"><italic>c</italic> = 15.6397 (15) Å</td><td rowspan="1" colspan="1">θ = 0.9–28.0º</td></tr><tr><td rowspan="1" colspan="1">α = 87.710 (2)º</td><td rowspan="1" colspan="1">µ = 0.19 mm<sup>−</sup><sup>1</sup></td></tr><tr><td rowspan="1" colspan="1">β = 88.074 (2)º</td><td rowspan="1" colspan="1"><italic>T</italic> = 292 (2) K</td></tr><tr><td rowspan="1" colspan="1">γ = 83.952 (2)º</td><td rowspan="1" colspan="1">Needle, colourless</td></tr><tr><td rowspan="1" colspan="1"><italic>V</italic> = 3234.4 (5) Å<sup>3</sup></td><td rowspan="1" colspan="1">0.31 × 0.07 × 0.06 mm</td></tr></table></table-wrap></sec><sec id="tablewrapdatacollectionlong"><title>Data collection</title><table-wrap position="anchor" id="d1e328"><table rules="all" frame="box" style="table-layout:fixed" summary=""><colgroup span="2"><col span="1"></col><col span="1"></col></colgroup><tr><td rowspan="1" colspan="1">Bruker SMART CCD area-detector diffractometer</td><td rowspan="1" colspan="1">12219 independent reflections</td></tr><tr><td rowspan="1" colspan="1">Radiation source: fine-focus sealed tube</td><td rowspan="1" colspan="1">7419 reflections with <italic>I</italic> > 2σ(<italic>I</italic>)</td></tr><tr><td rowspan="1" colspan="1">Monochromator: graphite</td><td rowspan="1" colspan="1"><italic>R</italic><sub>int</sub> = 0.053</td></tr><tr><td rowspan="1" colspan="1"><italic>T</italic> = 292(2) K</td><td rowspan="1" colspan="1">θ<sub>max</sub> = 25.7º</td></tr><tr><td rowspan="1" colspan="1">φ and ω scans</td><td rowspan="1" colspan="1">θ<sub>min</sub> = 1.4º</td></tr><tr><td rowspan="1" colspan="1">Absorption correction: multi-scan(SADABS; Sheldrick, 1996)</td><td rowspan="1" colspan="1"><italic>h</italic> = −17→17</td></tr><tr><td rowspan="1" colspan="1"><italic>T</italic><sub>min</sub> = 0.939, <italic>T</italic><sub>max</sub> = 0.989</td><td rowspan="1" colspan="1"><italic>k</italic> = −17→17</td></tr><tr><td rowspan="1" colspan="1">32848 measured reflections</td><td rowspan="1" colspan="1"><italic>l</italic> = −19→19</td></tr></table></table-wrap></sec><sec id="tablewraprefinementdatalong"><title>Refinement</title><table-wrap position="anchor" id="d1e439"><table rules="all" frame="box" style="table-layout:fixed" summary=""><colgroup span="2"><col span="1"></col><col span="1"></col></colgroup><tr><td rowspan="1" colspan="1">Refinement on <italic>F</italic><sup>2</sup></td><td rowspan="1" colspan="1">Secondary atom site location: difference Fourier map</td></tr><tr><td rowspan="1" colspan="1">Least-squares matrix: full</td><td rowspan="1" colspan="1">Hydrogen site location: inferred from neighbouring sites</td></tr><tr><td rowspan="1" colspan="1"><italic>R</italic>[<italic>F</italic><sup>2</sup> > 2σ(<italic>F</italic><sup>2</sup>)] = 0.068</td><td rowspan="1" colspan="1">H-atom parameters constrained</td></tr><tr><td rowspan="1" colspan="1"><italic>wR</italic>(<italic>F</italic><sup>2</sup>) = 0.160</td><td rowspan="1" colspan="1"> <italic>w</italic> = 1/[σ<sup>2</sup>(<italic>F</italic><sub>o</sub><sup>2</sup>) + (0.0616<italic>P</italic>)<sup>2</sup>] where <italic>P</italic> = (<italic>F</italic><sub>o</sub><sup>2</sup> + 2<italic>F</italic><sub>c</sub><sup>2</sup>)/3</td></tr><tr><td rowspan="1" colspan="1"><italic>S</italic> = 1.06</td><td rowspan="1" colspan="1">(Δ/σ)<sub>max</sub> < 0.001</td></tr><tr><td rowspan="1" colspan="1">12219 reflections</td><td rowspan="1" colspan="1">Δρ<sub>max</sub> = 0.31 e Å<sup>−</sup><sup>3</sup></td></tr><tr><td rowspan="1" colspan="1">901 parameters</td><td rowspan="1" colspan="1">Δρ<sub>min</sub> = −0.34 e Å<sup>−</sup><sup>3</sup></td></tr><tr><td rowspan="1" colspan="1">Primary atom site location: structure-invariant direct methods</td><td rowspan="1" colspan="1">Extinction correction: none</td></tr></table></table-wrap></sec><sec id="specialdetails"><title>Special details</title><table-wrap position="anchor" id="d1e594"><table rules="all" frame="box" style="table-layout:fixed"><tr><td rowspan="1" colspan="1">Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes.</td></tr><tr><td rowspan="1" colspan="1">Refinement. Refinement of <italic>F</italic><sup>2</sup> against ALL reflections. The weighted <italic>R</italic>-factor
<italic>wR</italic> and goodness of fit <italic>S</italic> are based on <italic>F</italic><sup>2</sup>, conventional
<italic>R</italic>-factors <italic>R</italic> are based on <italic>F</italic>, with <italic>F</italic> set to zero for
negative <italic>F</italic><sup>2</sup>. The threshold expression of <italic>F</italic><sup>2</sup> >
σ(<italic>F</italic><sup>2</sup>) is used only for calculating <italic>R</italic>-factors(gt) <italic>etc</italic>.
and is not relevant to the choice of reflections for refinement.
<italic>R</italic>-factors based on <italic>F</italic><sup>2</sup> are statistically about twice as large
as those based on <italic>F</italic>, and <italic>R</italic>- factors based on ALL data will be
even larger.</td></tr></table></table-wrap></sec><sec id="tablewrapcoords"><title>Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å<sup>2</sup>)</title><table-wrap position="anchor" id="d1e693"><table rules="all" frame="box" style="table-layout:fixed" summary=""><tr><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"><italic>x</italic></td><td rowspan="1" colspan="1"><italic>y</italic></td><td rowspan="1" colspan="1"><italic>z</italic></td><td rowspan="1" colspan="1"><italic>U</italic><sub>iso</sub>*/<italic>U</italic><sub>eq</sub></td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">P1</td><td rowspan="1" colspan="1">0.18879 (7)</td><td rowspan="1" colspan="1">0.59609 (7)</td><td rowspan="1" colspan="1">0.09812 (7)</td><td rowspan="1" colspan="1">0.0433 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">P2</td><td rowspan="1" colspan="1">0.02314 (7)</td><td rowspan="1" colspan="1">0.32601 (7)</td><td rowspan="1" colspan="1">0.13354 (7)</td><td rowspan="1" colspan="1">0.0414 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">P3</td><td rowspan="1" colspan="1">0.94345 (8)</td><td rowspan="1" colspan="1">0.64658 (7)</td><td rowspan="1" colspan="1">0.34851 (7)</td><td rowspan="1" colspan="1">0.0479 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">P4</td><td rowspan="1" colspan="1">0.80353 (7)</td><td rowspan="1" colspan="1">0.37386 (7)</td><td rowspan="1" colspan="1">0.44392 (7)</td><td rowspan="1" colspan="1">0.0434 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O1</td><td rowspan="1" colspan="1">0.18978 (16)</td><td rowspan="1" colspan="1">0.63722 (16)</td><td rowspan="1" colspan="1">0.18932 (15)</td><td rowspan="1" colspan="1">0.0429 (6)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O2</td><td rowspan="1" colspan="1">0.28908 (16)</td><td rowspan="1" colspan="1">0.61002 (16)</td><td rowspan="1" colspan="1">0.05549 (14)</td><td rowspan="1" colspan="1">0.0413 (6)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O3</td><td rowspan="1" colspan="1">0.10800 (18)</td><td rowspan="1" colspan="1">0.6437 (2)</td><td rowspan="1" colspan="1">0.05428 (18)</td><td rowspan="1" colspan="1">0.0664 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O4</td><td rowspan="1" colspan="1">0.19492 (18)</td><td rowspan="1" colspan="1">0.49120 (17)</td><td rowspan="1" colspan="1">0.10530 (17)</td><td rowspan="1" colspan="1">0.0569 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H1O</td><td rowspan="1" colspan="1">0.1483</td><td rowspan="1" colspan="1">0.4756</td><td rowspan="1" colspan="1">0.1320</td><td rowspan="1" colspan="1">0.085*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O5</td><td rowspan="1" colspan="1">−0.00382 (16)</td><td rowspan="1" colspan="1">0.30050 (15)</td><td rowspan="1" colspan="1">0.22946 (15)</td><td rowspan="1" colspan="1">0.0414 (6)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O6</td><td rowspan="1" colspan="1">0.11649 (17)</td><td rowspan="1" colspan="1">0.26132 (16)</td><td rowspan="1" colspan="1">0.11331 (15)</td><td rowspan="1" colspan="1">0.0428 (6)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O7</td><td rowspan="1" colspan="1">0.04349 (17)</td><td rowspan="1" colspan="1">0.42177 (16)</td><td rowspan="1" colspan="1">0.11774 (17)</td><td rowspan="1" colspan="1">0.0534 (7)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O8</td><td rowspan="1" colspan="1">−0.06052 (18)</td><td rowspan="1" colspan="1">0.29605 (18)</td><td rowspan="1" colspan="1">0.08799 (17)</td><td rowspan="1" colspan="1">0.0593 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H2O</td><td rowspan="1" colspan="1">−0.0515</td><td rowspan="1" colspan="1">0.3017</td><td rowspan="1" colspan="1">0.0361</td><td rowspan="1" colspan="1">0.089*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O9</td><td rowspan="1" colspan="1">0.85273 (18)</td><td rowspan="1" colspan="1">0.71325 (15)</td><td rowspan="1" colspan="1">0.37247 (15)</td><td rowspan="1" colspan="1">0.0456 (7)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O10</td><td rowspan="1" colspan="1">0.97501 (16)</td><td rowspan="1" colspan="1">0.67963 (16)</td><td rowspan="1" colspan="1">0.25610 (16)</td><td rowspan="1" colspan="1">0.0458 (7)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O11</td><td rowspan="1" colspan="1">0.90470 (19)</td><td rowspan="1" colspan="1">0.55429 (16)</td><td rowspan="1" colspan="1">0.33839 (17)</td><td rowspan="1" colspan="1">0.0594 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H30</td><td rowspan="1" colspan="1">0.8854</td><td rowspan="1" colspan="1">0.5353</td><td rowspan="1" colspan="1">0.3851</td><td rowspan="1" colspan="1">0.089*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O12</td><td rowspan="1" colspan="1">1.0212 (2)</td><td rowspan="1" colspan="1">0.6476 (2)</td><td rowspan="1" colspan="1">0.4053 (2)</td><td rowspan="1" colspan="1">0.0905 (11)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O13</td><td rowspan="1" colspan="1">0.69748 (17)</td><td rowspan="1" colspan="1">0.36199 (16)</td><td rowspan="1" colspan="1">0.47107 (15)</td><td rowspan="1" colspan="1">0.0442 (6)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O14</td><td rowspan="1" colspan="1">0.81529 (16)</td><td rowspan="1" colspan="1">0.33779 (16)</td><td rowspan="1" colspan="1">0.35017 (15)</td><td rowspan="1" colspan="1">0.0419 (6)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O15</td><td rowspan="1" colspan="1">0.81746 (19)</td><td rowspan="1" colspan="1">0.47098 (17)</td><td rowspan="1" colspan="1">0.45115 (16)</td><td rowspan="1" colspan="1">0.0535 (7)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O16</td><td rowspan="1" colspan="1">0.8698 (2)</td><td rowspan="1" colspan="1">0.30309 (18)</td><td rowspan="1" colspan="1">0.49275 (18)</td><td rowspan="1" colspan="1">0.0668 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H4O</td><td rowspan="1" colspan="1">0.8642</td><td rowspan="1" colspan="1">0.3122</td><td rowspan="1" colspan="1">0.5441</td><td rowspan="1" colspan="1">0.100*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C1</td><td rowspan="1" colspan="1">0.2734 (2)</td><td rowspan="1" colspan="1">0.6182 (2)</td><td rowspan="1" colspan="1">0.2365 (2)</td><td rowspan="1" colspan="1">0.0357 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C2</td><td rowspan="1" colspan="1">0.2703 (3)</td><td rowspan="1" colspan="1">0.5561 (3)</td><td rowspan="1" colspan="1">0.3067 (2)</td><td rowspan="1" colspan="1">0.0477 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H2</td><td rowspan="1" colspan="1">0.2151</td><td rowspan="1" colspan="1">0.5297</td><td rowspan="1" colspan="1">0.3215</td><td rowspan="1" colspan="1">0.057*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C3</td><td rowspan="1" colspan="1">0.3490 (3)</td><td rowspan="1" colspan="1">0.5352 (3)</td><td rowspan="1" colspan="1">0.3527 (2)</td><td rowspan="1" colspan="1">0.0501 (11)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H3</td><td rowspan="1" colspan="1">0.3473</td><td rowspan="1" colspan="1">0.4946</td><td rowspan="1" colspan="1">0.3998</td><td rowspan="1" colspan="1">0.060*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C4</td><td rowspan="1" colspan="1">0.4334 (3)</td><td rowspan="1" colspan="1">0.5738 (2)</td><td rowspan="1" colspan="1">0.3308 (2)</td><td rowspan="1" colspan="1">0.0431 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C5</td><td rowspan="1" colspan="1">0.5177 (3)</td><td rowspan="1" colspan="1">0.5497 (3)</td><td rowspan="1" colspan="1">0.3757 (2)</td><td rowspan="1" colspan="1">0.0558 (11)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H5</td><td rowspan="1" colspan="1">0.5170</td><td rowspan="1" colspan="1">0.5075</td><td rowspan="1" colspan="1">0.4218</td><td rowspan="1" colspan="1">0.067*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C6</td><td rowspan="1" colspan="1">0.5992 (3)</td><td rowspan="1" colspan="1">0.5859 (3)</td><td rowspan="1" colspan="1">0.3540 (3)</td><td rowspan="1" colspan="1">0.0594 (12)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H6</td><td rowspan="1" colspan="1">0.6534</td><td rowspan="1" colspan="1">0.5691</td><td rowspan="1" colspan="1">0.3850</td><td rowspan="1" colspan="1">0.071*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C7</td><td rowspan="1" colspan="1">0.6010 (3)</td><td rowspan="1" colspan="1">0.6487 (3)</td><td rowspan="1" colspan="1">0.2846 (3)</td><td rowspan="1" colspan="1">0.0564 (11)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H7</td><td rowspan="1" colspan="1">0.6569</td><td rowspan="1" colspan="1">0.6739</td><td rowspan="1" colspan="1">0.2693</td><td rowspan="1" colspan="1">0.068*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C8</td><td rowspan="1" colspan="1">0.5217 (3)</td><td rowspan="1" colspan="1">0.6737 (2)</td><td rowspan="1" colspan="1">0.2388 (2)</td><td rowspan="1" colspan="1">0.0433 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H8</td><td rowspan="1" colspan="1">0.5247</td><td rowspan="1" colspan="1">0.7152</td><td rowspan="1" colspan="1">0.1925</td><td rowspan="1" colspan="1">0.052*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C9</td><td rowspan="1" colspan="1">0.4355 (2)</td><td rowspan="1" colspan="1">0.6380 (2)</td><td rowspan="1" colspan="1">0.2602 (2)</td><td rowspan="1" colspan="1">0.0339 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C10</td><td rowspan="1" colspan="1">0.3506 (2)</td><td rowspan="1" colspan="1">0.6617 (2)</td><td rowspan="1" colspan="1">0.2128 (2)</td><td rowspan="1" colspan="1">0.0327 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C11</td><td rowspan="1" colspan="1">0.3453 (2)</td><td rowspan="1" colspan="1">0.7269 (2)</td><td rowspan="1" colspan="1">0.1368 (2)</td><td rowspan="1" colspan="1">0.0319 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C12</td><td rowspan="1" colspan="1">0.3617 (2)</td><td rowspan="1" colspan="1">0.8221 (2)</td><td rowspan="1" colspan="1">0.1423 (2)</td><td rowspan="1" colspan="1">0.0333 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C13</td><td rowspan="1" colspan="1">0.3790 (2)</td><td rowspan="1" colspan="1">0.8617 (2)</td><td rowspan="1" colspan="1">0.2200 (2)</td><td rowspan="1" colspan="1">0.0408 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H13</td><td rowspan="1" colspan="1">0.3837</td><td rowspan="1" colspan="1">0.8250</td><td rowspan="1" colspan="1">0.2699</td><td rowspan="1" colspan="1">0.049*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C14</td><td rowspan="1" colspan="1">0.3892 (3)</td><td rowspan="1" colspan="1">0.9527 (3)</td><td rowspan="1" colspan="1">0.2233 (3)</td><td rowspan="1" colspan="1">0.0516 (11)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H14</td><td rowspan="1" colspan="1">0.4005</td><td rowspan="1" colspan="1">0.9774</td><td rowspan="1" colspan="1">0.2755</td><td rowspan="1" colspan="1">0.062*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C15</td><td rowspan="1" colspan="1">0.3829 (3)</td><td rowspan="1" colspan="1">1.0098 (3)</td><td rowspan="1" colspan="1">0.1496 (3)</td><td rowspan="1" colspan="1">0.0590 (12)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H15</td><td rowspan="1" colspan="1">0.3909</td><td rowspan="1" colspan="1">1.0718</td><td rowspan="1" colspan="1">0.1526</td><td rowspan="1" colspan="1">0.071*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C16</td><td rowspan="1" colspan="1">0.3652 (3)</td><td rowspan="1" colspan="1">0.9746 (3)</td><td rowspan="1" colspan="1">0.0740 (3)</td><td rowspan="1" colspan="1">0.0546 (11)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H16</td><td rowspan="1" colspan="1">0.3604</td><td rowspan="1" colspan="1">1.0131</td><td rowspan="1" colspan="1">0.0252</td><td rowspan="1" colspan="1">0.066*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C17</td><td rowspan="1" colspan="1">0.3538 (2)</td><td rowspan="1" colspan="1">0.8803 (2)</td><td rowspan="1" colspan="1">0.0677 (2)</td><td rowspan="1" colspan="1">0.0414 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C18</td><td rowspan="1" colspan="1">0.3306 (3)</td><td rowspan="1" colspan="1">0.8441 (3)</td><td rowspan="1" colspan="1">−0.0102 (3)</td><td rowspan="1" colspan="1">0.0518 (11)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H18</td><td rowspan="1" colspan="1">0.3286</td><td rowspan="1" colspan="1">0.8815</td><td rowspan="1" colspan="1">−0.0598</td><td rowspan="1" colspan="1">0.062*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C19</td><td rowspan="1" colspan="1">0.3109 (3)</td><td rowspan="1" colspan="1">0.7557 (3)</td><td rowspan="1" colspan="1">−0.0140 (2)</td><td rowspan="1" colspan="1">0.0476 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H19</td><td rowspan="1" colspan="1">0.2940</td><td rowspan="1" colspan="1">0.7328</td><td rowspan="1" colspan="1">−0.0653</td><td rowspan="1" colspan="1">0.057*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C20</td><td rowspan="1" colspan="1">0.3166 (2)</td><td rowspan="1" colspan="1">0.6998 (2)</td><td rowspan="1" colspan="1">0.0604 (2)</td><td rowspan="1" colspan="1">0.0376 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C21</td><td rowspan="1" colspan="1">0.0697 (2)</td><td rowspan="1" colspan="1">0.2935 (2)</td><td rowspan="1" colspan="1">0.2883 (2)</td><td rowspan="1" colspan="1">0.0355 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C22</td><td rowspan="1" colspan="1">0.0694 (3)</td><td rowspan="1" colspan="1">0.3652 (2)</td><td rowspan="1" colspan="1">0.3445 (2)</td><td rowspan="1" colspan="1">0.0471 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H22</td><td rowspan="1" colspan="1">0.0213</td><td rowspan="1" colspan="1">0.4133</td><td rowspan="1" colspan="1">0.3433</td><td rowspan="1" colspan="1">0.056*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C23</td><td rowspan="1" colspan="1">0.1402 (3)</td><td rowspan="1" colspan="1">0.3640 (2)</td><td rowspan="1" colspan="1">0.4009 (2)</td><td rowspan="1" colspan="1">0.0472 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H23</td><td rowspan="1" colspan="1">0.1391</td><td rowspan="1" colspan="1">0.4103</td><td rowspan="1" colspan="1">0.4400</td><td rowspan="1" colspan="1">0.057*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C24</td><td rowspan="1" colspan="1">0.2155 (3)</td><td rowspan="1" colspan="1">0.2926 (2)</td><td rowspan="1" colspan="1">0.4005 (2)</td><td rowspan="1" colspan="1">0.0378 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C25</td><td rowspan="1" colspan="1">0.2931 (3)</td><td rowspan="1" colspan="1">0.2927 (3)</td><td rowspan="1" colspan="1">0.4544 (2)</td><td rowspan="1" colspan="1">0.0496 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H25</td><td rowspan="1" colspan="1">0.2934</td><td rowspan="1" colspan="1">0.3391</td><td rowspan="1" colspan="1">0.4933</td><td rowspan="1" colspan="1">0.059*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C26</td><td rowspan="1" colspan="1">0.3673 (3)</td><td rowspan="1" colspan="1">0.2266 (3)</td><td rowspan="1" colspan="1">0.4507 (3)</td><td rowspan="1" colspan="1">0.0574 (12)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H26</td><td rowspan="1" colspan="1">0.4177</td><td rowspan="1" colspan="1">0.2278</td><td rowspan="1" colspan="1">0.4869</td><td rowspan="1" colspan="1">0.069*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C27</td><td rowspan="1" colspan="1">0.3677 (3)</td><td rowspan="1" colspan="1">0.1566 (3)</td><td rowspan="1" colspan="1">0.3926 (3)</td><td rowspan="1" colspan="1">0.0522 (11)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H27</td><td rowspan="1" colspan="1">0.4194</td><td rowspan="1" colspan="1">0.1122</td><td rowspan="1" colspan="1">0.3892</td><td rowspan="1" colspan="1">0.063*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C28</td><td rowspan="1" colspan="1">0.2937 (2)</td><td rowspan="1" colspan="1">0.1526 (2)</td><td rowspan="1" colspan="1">0.3409 (2)</td><td rowspan="1" colspan="1">0.0412 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H28</td><td rowspan="1" colspan="1">0.2951</td><td rowspan="1" colspan="1">0.1049</td><td rowspan="1" colspan="1">0.3033</td><td rowspan="1" colspan="1">0.049*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C29</td><td rowspan="1" colspan="1">0.2143 (2)</td><td rowspan="1" colspan="1">0.2193 (2)</td><td rowspan="1" colspan="1">0.3429 (2)</td><td rowspan="1" colspan="1">0.0347 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C30</td><td rowspan="1" colspan="1">0.1362 (2)</td><td rowspan="1" colspan="1">0.2186 (2)</td><td rowspan="1" colspan="1">0.2876 (2)</td><td rowspan="1" colspan="1">0.0338 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C31</td><td rowspan="1" colspan="1">0.1291 (2)</td><td rowspan="1" colspan="1">0.1453 (2)</td><td rowspan="1" colspan="1">0.2256 (2)</td><td rowspan="1" colspan="1">0.0343 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C32</td><td rowspan="1" colspan="1">0.1270 (2)</td><td rowspan="1" colspan="1">0.0499 (2)</td><td rowspan="1" colspan="1">0.2507 (2)</td><td rowspan="1" colspan="1">0.0379 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C33</td><td rowspan="1" colspan="1">0.1268 (3)</td><td rowspan="1" colspan="1">0.0182 (2)</td><td rowspan="1" colspan="1">0.3370 (3)</td><td rowspan="1" colspan="1">0.0486 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H33</td><td rowspan="1" colspan="1">0.1286</td><td rowspan="1" colspan="1">0.0599</td><td rowspan="1" colspan="1">0.3801</td><td rowspan="1" colspan="1">0.058*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C34</td><td rowspan="1" colspan="1">0.1239 (3)</td><td rowspan="1" colspan="1">−0.0734 (3)</td><td rowspan="1" colspan="1">0.3582 (3)</td><td rowspan="1" colspan="1">0.0594 (12)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H34</td><td rowspan="1" colspan="1">0.1242</td><td rowspan="1" colspan="1">−0.0930</td><td rowspan="1" colspan="1">0.4155</td><td rowspan="1" colspan="1">0.071*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C35</td><td rowspan="1" colspan="1">0.1205 (3)</td><td rowspan="1" colspan="1">−0.1375 (3)</td><td rowspan="1" colspan="1">0.2948 (3)</td><td rowspan="1" colspan="1">0.0640 (13)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H35</td><td rowspan="1" colspan="1">0.1198</td><td rowspan="1" colspan="1">−0.1995</td><td rowspan="1" colspan="1">0.3098</td><td rowspan="1" colspan="1">0.077*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C36</td><td rowspan="1" colspan="1">0.1184 (3)</td><td rowspan="1" colspan="1">−0.1091 (3)</td><td rowspan="1" colspan="1">0.2121 (3)</td><td rowspan="1" colspan="1">0.0577 (12)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H36</td><td rowspan="1" colspan="1">0.1148</td><td rowspan="1" colspan="1">−0.1518</td><td rowspan="1" colspan="1">0.1702</td><td rowspan="1" colspan="1">0.069*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C37</td><td rowspan="1" colspan="1">0.1214 (3)</td><td rowspan="1" colspan="1">−0.0157 (2)</td><td rowspan="1" colspan="1">0.1874 (3)</td><td rowspan="1" colspan="1">0.0440 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C38</td><td rowspan="1" colspan="1">0.1157 (3)</td><td rowspan="1" colspan="1">0.0147 (3)</td><td rowspan="1" colspan="1">0.1011 (3)</td><td rowspan="1" colspan="1">0.0561 (11)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H38</td><td rowspan="1" colspan="1">0.1127</td><td rowspan="1" colspan="1">−0.0282</td><td rowspan="1" colspan="1">0.0592</td><td rowspan="1" colspan="1">0.067*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C39</td><td rowspan="1" colspan="1">0.1143 (3)</td><td rowspan="1" colspan="1">0.1048 (3)</td><td rowspan="1" colspan="1">0.0774 (3)</td><td rowspan="1" colspan="1">0.0552 (11)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H39</td><td rowspan="1" colspan="1">0.1094</td><td rowspan="1" colspan="1">0.1241</td><td rowspan="1" colspan="1">0.0202</td><td rowspan="1" colspan="1">0.066*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C40</td><td rowspan="1" colspan="1">0.1203 (2)</td><td rowspan="1" colspan="1">0.1680 (2)</td><td rowspan="1" colspan="1">0.1408 (2)</td><td rowspan="1" colspan="1">0.0397 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C41</td><td rowspan="1" colspan="1">0.8530 (3)</td><td rowspan="1" colspan="1">0.8082 (2)</td><td rowspan="1" colspan="1">0.3531 (2)</td><td rowspan="1" colspan="1">0.0399 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C42</td><td rowspan="1" colspan="1">0.8586 (3)</td><td rowspan="1" colspan="1">0.8648 (3)</td><td rowspan="1" colspan="1">0.4221 (2)</td><td rowspan="1" colspan="1">0.0539 (11)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H42</td><td rowspan="1" colspan="1">0.8618</td><td rowspan="1" colspan="1">0.8403</td><td rowspan="1" colspan="1">0.4779</td><td rowspan="1" colspan="1">0.065*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C43</td><td rowspan="1" colspan="1">0.8590 (3)</td><td rowspan="1" colspan="1">0.9562 (3)</td><td rowspan="1" colspan="1">0.4057 (3)</td><td rowspan="1" colspan="1">0.0548 (11)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H43</td><td rowspan="1" colspan="1">0.8605</td><td rowspan="1" colspan="1">0.9950</td><td rowspan="1" colspan="1">0.4512</td><td rowspan="1" colspan="1">0.066*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C44</td><td rowspan="1" colspan="1">0.8573 (2)</td><td rowspan="1" colspan="1">0.9938 (2)</td><td rowspan="1" colspan="1">0.3217 (2)</td><td rowspan="1" colspan="1">0.0408 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C45</td><td rowspan="1" colspan="1">0.8619 (3)</td><td rowspan="1" colspan="1">1.0890 (3)</td><td rowspan="1" colspan="1">0.3046 (3)</td><td rowspan="1" colspan="1">0.0493 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H45</td><td rowspan="1" colspan="1">0.8640</td><td rowspan="1" colspan="1">1.1278</td><td rowspan="1" colspan="1">0.3501</td><td rowspan="1" colspan="1">0.059*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C46</td><td rowspan="1" colspan="1">0.8633 (3)</td><td rowspan="1" colspan="1">1.1242 (3)</td><td rowspan="1" colspan="1">0.2244 (3)</td><td rowspan="1" colspan="1">0.0510 (11)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H46</td><td rowspan="1" colspan="1">0.8651</td><td rowspan="1" colspan="1">1.1871</td><td rowspan="1" colspan="1">0.2146</td><td rowspan="1" colspan="1">0.061*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C47</td><td rowspan="1" colspan="1">0.8620 (3)</td><td rowspan="1" colspan="1">1.0669 (3)</td><td rowspan="1" colspan="1">0.1551 (3)</td><td rowspan="1" colspan="1">0.0489 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H47</td><td rowspan="1" colspan="1">0.8649</td><td rowspan="1" colspan="1">1.0916</td><td rowspan="1" colspan="1">0.0995</td><td rowspan="1" colspan="1">0.059*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C48</td><td rowspan="1" colspan="1">0.8566 (2)</td><td rowspan="1" colspan="1">0.9748 (2)</td><td rowspan="1" colspan="1">0.1687 (2)</td><td rowspan="1" colspan="1">0.0430 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H48</td><td rowspan="1" colspan="1">0.8554</td><td rowspan="1" colspan="1">0.9376</td><td rowspan="1" colspan="1">0.1220</td><td rowspan="1" colspan="1">0.052*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C49</td><td rowspan="1" colspan="1">0.8529 (2)</td><td rowspan="1" colspan="1">0.9352 (2)</td><td rowspan="1" colspan="1">0.2520 (2)</td><td rowspan="1" colspan="1">0.0353 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C50</td><td rowspan="1" colspan="1">0.8474 (2)</td><td rowspan="1" colspan="1">0.8389 (2)</td><td rowspan="1" colspan="1">0.2694 (2)</td><td rowspan="1" colspan="1">0.0339 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C51</td><td rowspan="1" colspan="1">0.8399 (2)</td><td rowspan="1" colspan="1">0.7725 (2)</td><td rowspan="1" colspan="1">0.2006 (2)</td><td rowspan="1" colspan="1">0.0310 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C52</td><td rowspan="1" colspan="1">0.7632 (2)</td><td rowspan="1" colspan="1">0.7803 (2)</td><td rowspan="1" colspan="1">0.1420 (2)</td><td rowspan="1" colspan="1">0.0351 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C53</td><td rowspan="1" colspan="1">0.6861 (2)</td><td rowspan="1" colspan="1">0.8493 (2)</td><td rowspan="1" colspan="1">0.1478 (2)</td><td rowspan="1" colspan="1">0.0425 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H53</td><td rowspan="1" colspan="1">0.6854</td><td rowspan="1" colspan="1">0.8930</td><td rowspan="1" colspan="1">0.1895</td><td rowspan="1" colspan="1">0.051*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C54</td><td rowspan="1" colspan="1">0.6131 (3)</td><td rowspan="1" colspan="1">0.8530 (3)</td><td rowspan="1" colspan="1">0.0937 (3)</td><td rowspan="1" colspan="1">0.0524 (11)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H54</td><td rowspan="1" colspan="1">0.5627</td><td rowspan="1" colspan="1">0.8984</td><td rowspan="1" colspan="1">0.0995</td><td rowspan="1" colspan="1">0.063*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C55</td><td rowspan="1" colspan="1">0.6125 (3)</td><td rowspan="1" colspan="1">0.7900 (3)</td><td rowspan="1" colspan="1">0.0294 (3)</td><td rowspan="1" colspan="1">0.0603 (12)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H55</td><td rowspan="1" colspan="1">0.5628</td><td rowspan="1" colspan="1">0.7945</td><td rowspan="1" colspan="1">−0.0082</td><td rowspan="1" colspan="1">0.072*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C56</td><td rowspan="1" colspan="1">0.6846 (3)</td><td rowspan="1" colspan="1">0.7221 (3)</td><td rowspan="1" colspan="1">0.0220 (3)</td><td rowspan="1" colspan="1">0.0565 (11)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H56</td><td rowspan="1" colspan="1">0.6837</td><td rowspan="1" colspan="1">0.6800</td><td rowspan="1" colspan="1">−0.0208</td><td rowspan="1" colspan="1">0.068*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C57</td><td rowspan="1" colspan="1">0.7612 (3)</td><td rowspan="1" colspan="1">0.7142 (2)</td><td rowspan="1" colspan="1">0.0785 (2)</td><td rowspan="1" colspan="1">0.0394 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C58</td><td rowspan="1" colspan="1">0.8328 (3)</td><td rowspan="1" colspan="1">0.6398 (3)</td><td rowspan="1" colspan="1">0.0756 (2)</td><td rowspan="1" colspan="1">0.0476 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H58</td><td rowspan="1" colspan="1">0.8324</td><td rowspan="1" colspan="1">0.5972</td><td rowspan="1" colspan="1">0.0331</td><td rowspan="1" colspan="1">0.057*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C59</td><td rowspan="1" colspan="1">0.9018 (3)</td><td rowspan="1" colspan="1">0.6292 (2)</td><td rowspan="1" colspan="1">0.1337 (2)</td><td rowspan="1" colspan="1">0.0444 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H59</td><td rowspan="1" colspan="1">0.9474</td><td rowspan="1" colspan="1">0.5788</td><td rowspan="1" colspan="1">0.1325</td><td rowspan="1" colspan="1">0.053*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C60</td><td rowspan="1" colspan="1">0.9032 (2)</td><td rowspan="1" colspan="1">0.6951 (2)</td><td rowspan="1" colspan="1">0.1953 (2)</td><td rowspan="1" colspan="1">0.0371 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C61</td><td rowspan="1" colspan="1">0.6665 (2)</td><td rowspan="1" colspan="1">0.2751 (2)</td><td rowspan="1" colspan="1">0.4561 (2)</td><td rowspan="1" colspan="1">0.0394 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C62</td><td rowspan="1" colspan="1">0.6601 (3)</td><td rowspan="1" colspan="1">0.2145 (3)</td><td rowspan="1" colspan="1">0.5262 (2)</td><td rowspan="1" colspan="1">0.0548 (11)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H62</td><td rowspan="1" colspan="1">0.6711</td><td rowspan="1" colspan="1">0.2326</td><td rowspan="1" colspan="1">0.5810</td><td rowspan="1" colspan="1">0.066*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C63</td><td rowspan="1" colspan="1">0.6376 (3)</td><td rowspan="1" colspan="1">0.1284 (3)</td><td rowspan="1" colspan="1">0.5134 (3)</td><td rowspan="1" colspan="1">0.0579 (12)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H63</td><td rowspan="1" colspan="1">0.6330</td><td rowspan="1" colspan="1">0.0873</td><td rowspan="1" colspan="1">0.5599</td><td rowspan="1" colspan="1">0.070*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C64</td><td rowspan="1" colspan="1">0.6212 (2)</td><td rowspan="1" colspan="1">0.1006 (3)</td><td rowspan="1" colspan="1">0.4305 (2)</td><td rowspan="1" colspan="1">0.0425 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C65</td><td rowspan="1" colspan="1">0.6033 (3)</td><td rowspan="1" colspan="1">0.0090 (3)</td><td rowspan="1" colspan="1">0.4153 (3)</td><td rowspan="1" colspan="1">0.0538 (11)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H65</td><td rowspan="1" colspan="1">0.6003</td><td rowspan="1" colspan="1">−0.0331</td><td rowspan="1" colspan="1">0.4611</td><td rowspan="1" colspan="1">0.065*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C66</td><td rowspan="1" colspan="1">0.5908 (3)</td><td rowspan="1" colspan="1">−0.0174 (3)</td><td rowspan="1" colspan="1">0.3355 (3)</td><td rowspan="1" colspan="1">0.0564 (11)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H66</td><td rowspan="1" colspan="1">0.5789</td><td rowspan="1" colspan="1">−0.0774</td><td rowspan="1" colspan="1">0.3265</td><td rowspan="1" colspan="1">0.068*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C67</td><td rowspan="1" colspan="1">0.5955 (3)</td><td rowspan="1" colspan="1">0.0449 (3)</td><td rowspan="1" colspan="1">0.2662 (3)</td><td rowspan="1" colspan="1">0.0498 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H67</td><td rowspan="1" colspan="1">0.5867</td><td rowspan="1" colspan="1">0.0259</td><td rowspan="1" colspan="1">0.2113</td><td rowspan="1" colspan="1">0.060*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C68</td><td rowspan="1" colspan="1">0.6127 (2)</td><td rowspan="1" colspan="1">0.1327 (2)</td><td rowspan="1" colspan="1">0.2776 (2)</td><td rowspan="1" colspan="1">0.0401 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H68</td><td rowspan="1" colspan="1">0.6162</td><td rowspan="1" colspan="1">0.1728</td><td rowspan="1" colspan="1">0.2303</td><td rowspan="1" colspan="1">0.048*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C69</td><td rowspan="1" colspan="1">0.6254 (2)</td><td rowspan="1" colspan="1">0.1641 (2)</td><td rowspan="1" colspan="1">0.3600 (2)</td><td rowspan="1" colspan="1">0.0349 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C70</td><td rowspan="1" colspan="1">0.6473 (2)</td><td rowspan="1" colspan="1">0.2556 (2)</td><td rowspan="1" colspan="1">0.3742 (2)</td><td rowspan="1" colspan="1">0.0342 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C71</td><td rowspan="1" colspan="1">0.6587 (2)</td><td rowspan="1" colspan="1">0.3251 (2)</td><td rowspan="1" colspan="1">0.3030 (2)</td><td rowspan="1" colspan="1">0.0317 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C72</td><td rowspan="1" colspan="1">0.5837 (2)</td><td rowspan="1" colspan="1">0.3566 (2)</td><td rowspan="1" colspan="1">0.2458 (2)</td><td rowspan="1" colspan="1">0.0329 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C73</td><td rowspan="1" colspan="1">0.4919 (2)</td><td rowspan="1" colspan="1">0.3289 (2)</td><td rowspan="1" colspan="1">0.2554 (2)</td><td rowspan="1" colspan="1">0.0428 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H73</td><td rowspan="1" colspan="1">0.4783</td><td rowspan="1" colspan="1">0.2878</td><td rowspan="1" colspan="1">0.2998</td><td rowspan="1" colspan="1">0.051*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C74</td><td rowspan="1" colspan="1">0.4225 (3)</td><td rowspan="1" colspan="1">0.3615 (3)</td><td rowspan="1" colspan="1">0.2006 (3)</td><td rowspan="1" colspan="1">0.0566 (11)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H74</td><td rowspan="1" colspan="1">0.3622</td><td rowspan="1" colspan="1">0.3426</td><td rowspan="1" colspan="1">0.2080</td><td rowspan="1" colspan="1">0.068*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C75</td><td rowspan="1" colspan="1">0.4415 (3)</td><td rowspan="1" colspan="1">0.4232 (3)</td><td rowspan="1" colspan="1">0.1334 (3)</td><td rowspan="1" colspan="1">0.0613 (12)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H75</td><td rowspan="1" colspan="1">0.3940</td><td rowspan="1" colspan="1">0.4448</td><td rowspan="1" colspan="1">0.0959</td><td rowspan="1" colspan="1">0.074*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C76</td><td rowspan="1" colspan="1">0.5286 (3)</td><td rowspan="1" colspan="1">0.4517 (3)</td><td rowspan="1" colspan="1">0.1227 (3)</td><td rowspan="1" colspan="1">0.0582 (12)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H76</td><td rowspan="1" colspan="1">0.5402</td><td rowspan="1" colspan="1">0.4928</td><td rowspan="1" colspan="1">0.0776</td><td rowspan="1" colspan="1">0.070*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C77</td><td rowspan="1" colspan="1">0.6025 (3)</td><td rowspan="1" colspan="1">0.4205 (2)</td><td rowspan="1" colspan="1">0.1783 (2)</td><td rowspan="1" colspan="1">0.0407 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C78</td><td rowspan="1" colspan="1">0.6919 (3)</td><td rowspan="1" colspan="1">0.4531 (3)</td><td rowspan="1" colspan="1">0.1695 (2)</td><td rowspan="1" colspan="1">0.0484 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H78</td><td rowspan="1" colspan="1">0.7040</td><td rowspan="1" colspan="1">0.4940</td><td rowspan="1" colspan="1">0.1244</td><td rowspan="1" colspan="1">0.058*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C79</td><td rowspan="1" colspan="1">0.7611 (3)</td><td rowspan="1" colspan="1">0.4258 (2)</td><td rowspan="1" colspan="1">0.2260 (2)</td><td rowspan="1" colspan="1">0.0461 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H79</td><td rowspan="1" colspan="1">0.8199</td><td rowspan="1" colspan="1">0.4482</td><td rowspan="1" colspan="1">0.2203</td><td rowspan="1" colspan="1">0.055*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C80</td><td rowspan="1" colspan="1">0.7419 (2)</td><td rowspan="1" colspan="1">0.3634 (2)</td><td rowspan="1" colspan="1">0.2928 (2)</td><td rowspan="1" colspan="1">0.0337 (8)</td><td rowspan="1" colspan="1"></td></tr></table></table-wrap></sec><sec id="tablewrapadps"><title>Atomic displacement parameters (Å<sup>2</sup>)</title><table-wrap position="anchor" id="d1e2606"><table rules="all" frame="box" style="table-layout:fixed" summary=""><tr><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"><italic>U</italic><sup>11</sup></td><td rowspan="1" colspan="1"><italic>U</italic><sup>22</sup></td><td rowspan="1" colspan="1"><italic>U</italic><sup>33</sup></td><td rowspan="1" colspan="1"><italic>U</italic><sup>12</sup></td><td rowspan="1" colspan="1"><italic>U</italic><sup>13</sup></td><td rowspan="1" colspan="1"><italic>U</italic><sup>23</sup></td></tr><tr><td rowspan="1" colspan="1">P1</td><td rowspan="1" colspan="1">0.0388 (6)</td><td rowspan="1" colspan="1">0.0449 (6)</td><td rowspan="1" colspan="1">0.0489 (6)</td><td rowspan="1" colspan="1">−0.0139 (5)</td><td rowspan="1" colspan="1">−0.0092 (5)</td><td rowspan="1" colspan="1">−0.0012 (5)</td></tr><tr><td rowspan="1" colspan="1">P2</td><td rowspan="1" colspan="1">0.0382 (6)</td><td rowspan="1" colspan="1">0.0351 (6)</td><td rowspan="1" colspan="1">0.0511 (7)</td><td rowspan="1" colspan="1">−0.0077 (5)</td><td rowspan="1" colspan="1">−0.0049 (5)</td><td rowspan="1" colspan="1">0.0076 (5)</td></tr><tr><td rowspan="1" colspan="1">P3</td><td rowspan="1" colspan="1">0.0505 (7)</td><td rowspan="1" colspan="1">0.0388 (6)</td><td rowspan="1" colspan="1">0.0553 (7)</td><td rowspan="1" colspan="1">−0.0066 (5)</td><td rowspan="1" colspan="1">−0.0177 (5)</td><td rowspan="1" colspan="1">0.0053 (5)</td></tr><tr><td rowspan="1" colspan="1">P4</td><td rowspan="1" colspan="1">0.0491 (7)</td><td rowspan="1" colspan="1">0.0386 (6)</td><td rowspan="1" colspan="1">0.0451 (6)</td><td rowspan="1" colspan="1">−0.0120 (5)</td><td rowspan="1" colspan="1">−0.0143 (5)</td><td rowspan="1" colspan="1">−0.0029 (5)</td></tr><tr><td rowspan="1" colspan="1">O1</td><td rowspan="1" colspan="1">0.0361 (14)</td><td rowspan="1" colspan="1">0.0458 (16)</td><td rowspan="1" colspan="1">0.0484 (16)</td><td rowspan="1" colspan="1">−0.0107 (12)</td><td rowspan="1" colspan="1">0.0010 (12)</td><td rowspan="1" colspan="1">−0.0065 (13)</td></tr><tr><td rowspan="1" colspan="1">O2</td><td rowspan="1" colspan="1">0.0435 (15)</td><td rowspan="1" colspan="1">0.0427 (15)</td><td rowspan="1" colspan="1">0.0398 (15)</td><td rowspan="1" colspan="1">−0.0125 (12)</td><td rowspan="1" colspan="1">−0.0025 (12)</td><td rowspan="1" colspan="1">−0.0048 (12)</td></tr><tr><td rowspan="1" colspan="1">O3</td><td rowspan="1" colspan="1">0.0464 (17)</td><td rowspan="1" colspan="1">0.084 (2)</td><td rowspan="1" colspan="1">0.069 (2)</td><td rowspan="1" colspan="1">−0.0095 (16)</td><td rowspan="1" colspan="1">−0.0190 (15)</td><td rowspan="1" colspan="1">0.0150 (17)</td></tr><tr><td rowspan="1" colspan="1">O4</td><td rowspan="1" colspan="1">0.0556 (18)</td><td rowspan="1" colspan="1">0.0504 (17)</td><td rowspan="1" colspan="1">0.0688 (19)</td><td rowspan="1" colspan="1">−0.0218 (14)</td><td rowspan="1" colspan="1">−0.0028 (14)</td><td rowspan="1" colspan="1">−0.0082 (15)</td></tr><tr><td rowspan="1" colspan="1">O5</td><td rowspan="1" colspan="1">0.0351 (14)</td><td rowspan="1" colspan="1">0.0406 (15)</td><td rowspan="1" colspan="1">0.0477 (16)</td><td rowspan="1" colspan="1">−0.0020 (12)</td><td rowspan="1" colspan="1">−0.0011 (12)</td><td rowspan="1" colspan="1">0.0017 (12)</td></tr><tr><td rowspan="1" colspan="1">O6</td><td rowspan="1" colspan="1">0.0469 (16)</td><td rowspan="1" colspan="1">0.0410 (15)</td><td rowspan="1" colspan="1">0.0397 (15)</td><td rowspan="1" colspan="1">−0.0039 (12)</td><td rowspan="1" colspan="1">0.0039 (12)</td><td rowspan="1" colspan="1">0.0036 (12)</td></tr><tr><td rowspan="1" colspan="1">O7</td><td rowspan="1" colspan="1">0.0502 (17)</td><td rowspan="1" colspan="1">0.0348 (15)</td><td rowspan="1" colspan="1">0.076 (2)</td><td rowspan="1" colspan="1">−0.0103 (12)</td><td rowspan="1" colspan="1">−0.0049 (14)</td><td rowspan="1" colspan="1">0.0083 (14)</td></tr><tr><td rowspan="1" colspan="1">O8</td><td rowspan="1" colspan="1">0.0580 (18)</td><td rowspan="1" colspan="1">0.0645 (19)</td><td rowspan="1" colspan="1">0.0598 (18)</td><td rowspan="1" colspan="1">−0.0282 (15)</td><td rowspan="1" colspan="1">−0.0136 (14)</td><td rowspan="1" colspan="1">0.0119 (15)</td></tr><tr><td rowspan="1" colspan="1">O9</td><td rowspan="1" colspan="1">0.0632 (18)</td><td rowspan="1" colspan="1">0.0291 (14)</td><td rowspan="1" colspan="1">0.0445 (15)</td><td rowspan="1" colspan="1">−0.0081 (13)</td><td rowspan="1" colspan="1">0.0040 (13)</td><td rowspan="1" colspan="1">0.0032 (12)</td></tr><tr><td rowspan="1" colspan="1">O10</td><td rowspan="1" colspan="1">0.0352 (14)</td><td rowspan="1" colspan="1">0.0408 (15)</td><td rowspan="1" colspan="1">0.0611 (18)</td><td rowspan="1" colspan="1">−0.0031 (12)</td><td rowspan="1" colspan="1">−0.0039 (13)</td><td rowspan="1" colspan="1">0.0034 (13)</td></tr><tr><td rowspan="1" colspan="1">O11</td><td rowspan="1" colspan="1">0.080 (2)</td><td rowspan="1" colspan="1">0.0325 (15)</td><td rowspan="1" colspan="1">0.0662 (19)</td><td rowspan="1" colspan="1">−0.0093 (14)</td><td rowspan="1" colspan="1">−0.0035 (16)</td><td rowspan="1" colspan="1">0.0024 (14)</td></tr><tr><td rowspan="1" colspan="1">O12</td><td rowspan="1" colspan="1">0.080 (2)</td><td rowspan="1" colspan="1">0.105 (3)</td><td rowspan="1" colspan="1">0.090 (3)</td><td rowspan="1" colspan="1">−0.016 (2)</td><td rowspan="1" colspan="1">−0.046 (2)</td><td rowspan="1" colspan="1">0.009 (2)</td></tr><tr><td rowspan="1" colspan="1">O13</td><td rowspan="1" colspan="1">0.0535 (17)</td><td rowspan="1" colspan="1">0.0446 (16)</td><td rowspan="1" colspan="1">0.0374 (15)</td><td rowspan="1" colspan="1">−0.0148 (13)</td><td rowspan="1" colspan="1">−0.0043 (12)</td><td rowspan="1" colspan="1">−0.0084 (12)</td></tr><tr><td rowspan="1" colspan="1">O14</td><td rowspan="1" colspan="1">0.0359 (14)</td><td rowspan="1" colspan="1">0.0492 (16)</td><td rowspan="1" colspan="1">0.0422 (15)</td><td rowspan="1" colspan="1">−0.0085 (12)</td><td rowspan="1" colspan="1">−0.0056 (12)</td><td rowspan="1" colspan="1">−0.0077 (12)</td></tr><tr><td rowspan="1" colspan="1">O15</td><td rowspan="1" colspan="1">0.0688 (19)</td><td rowspan="1" colspan="1">0.0420 (16)</td><td rowspan="1" colspan="1">0.0540 (17)</td><td rowspan="1" colspan="1">−0.0209 (14)</td><td rowspan="1" colspan="1">−0.0117 (14)</td><td rowspan="1" colspan="1">−0.0085 (13)</td></tr><tr><td rowspan="1" colspan="1">O16</td><td rowspan="1" colspan="1">0.081 (2)</td><td rowspan="1" colspan="1">0.0541 (18)</td><td rowspan="1" colspan="1">0.067 (2)</td><td rowspan="1" colspan="1">−0.0076 (16)</td><td rowspan="1" colspan="1">−0.0331 (17)</td><td rowspan="1" colspan="1">0.0049 (15)</td></tr><tr><td rowspan="1" colspan="1">C1</td><td rowspan="1" colspan="1">0.041 (2)</td><td rowspan="1" colspan="1">0.035 (2)</td><td rowspan="1" colspan="1">0.031 (2)</td><td rowspan="1" colspan="1">−0.0079 (17)</td><td rowspan="1" colspan="1">0.0027 (17)</td><td rowspan="1" colspan="1">−0.0035 (16)</td></tr><tr><td rowspan="1" colspan="1">C2</td><td rowspan="1" colspan="1">0.060 (3)</td><td rowspan="1" colspan="1">0.046 (2)</td><td rowspan="1" colspan="1">0.040 (2)</td><td rowspan="1" colspan="1">−0.022 (2)</td><td rowspan="1" colspan="1">0.010 (2)</td><td rowspan="1" colspan="1">−0.0007 (19)</td></tr><tr><td rowspan="1" colspan="1">C3</td><td rowspan="1" colspan="1">0.079 (3)</td><td rowspan="1" colspan="1">0.040 (2)</td><td rowspan="1" colspan="1">0.032 (2)</td><td rowspan="1" colspan="1">−0.013 (2)</td><td rowspan="1" colspan="1">−0.003 (2)</td><td rowspan="1" colspan="1">0.0105 (18)</td></tr><tr><td rowspan="1" colspan="1">C4</td><td rowspan="1" colspan="1">0.063 (3)</td><td rowspan="1" colspan="1">0.032 (2)</td><td rowspan="1" colspan="1">0.036 (2)</td><td rowspan="1" colspan="1">−0.0077 (19)</td><td rowspan="1" colspan="1">−0.0034 (19)</td><td rowspan="1" colspan="1">−0.0024 (17)</td></tr><tr><td rowspan="1" colspan="1">C5</td><td rowspan="1" colspan="1">0.075 (3)</td><td rowspan="1" colspan="1">0.053 (3)</td><td rowspan="1" colspan="1">0.038 (2)</td><td rowspan="1" colspan="1">0.004 (2)</td><td rowspan="1" colspan="1">−0.016 (2)</td><td rowspan="1" colspan="1">0.001 (2)</td></tr><tr><td rowspan="1" colspan="1">C6</td><td rowspan="1" colspan="1">0.064 (3)</td><td rowspan="1" colspan="1">0.058 (3)</td><td rowspan="1" colspan="1">0.056 (3)</td><td rowspan="1" colspan="1">0.006 (2)</td><td rowspan="1" colspan="1">−0.025 (2)</td><td rowspan="1" colspan="1">−0.005 (2)</td></tr><tr><td rowspan="1" colspan="1">C7</td><td rowspan="1" colspan="1">0.049 (3)</td><td rowspan="1" colspan="1">0.051 (3)</td><td rowspan="1" colspan="1">0.071 (3)</td><td rowspan="1" colspan="1">−0.006 (2)</td><td rowspan="1" colspan="1">−0.018 (2)</td><td rowspan="1" colspan="1">−0.002 (2)</td></tr><tr><td rowspan="1" colspan="1">C8</td><td rowspan="1" colspan="1">0.045 (2)</td><td rowspan="1" colspan="1">0.039 (2)</td><td rowspan="1" colspan="1">0.047 (2)</td><td rowspan="1" colspan="1">−0.0109 (18)</td><td rowspan="1" colspan="1">−0.0099 (19)</td><td rowspan="1" colspan="1">0.0059 (18)</td></tr><tr><td rowspan="1" colspan="1">C9</td><td rowspan="1" colspan="1">0.044 (2)</td><td rowspan="1" colspan="1">0.0285 (19)</td><td rowspan="1" colspan="1">0.030 (2)</td><td rowspan="1" colspan="1">−0.0070 (16)</td><td rowspan="1" colspan="1">−0.0034 (16)</td><td rowspan="1" colspan="1">−0.0016 (16)</td></tr><tr><td rowspan="1" colspan="1">C10</td><td rowspan="1" colspan="1">0.041 (2)</td><td rowspan="1" colspan="1">0.0271 (19)</td><td rowspan="1" colspan="1">0.031 (2)</td><td rowspan="1" colspan="1">−0.0087 (16)</td><td rowspan="1" colspan="1">0.0002 (16)</td><td rowspan="1" colspan="1">−0.0019 (15)</td></tr><tr><td rowspan="1" colspan="1">C11</td><td rowspan="1" colspan="1">0.0279 (19)</td><td rowspan="1" colspan="1">0.036 (2)</td><td rowspan="1" colspan="1">0.032 (2)</td><td rowspan="1" colspan="1">−0.0075 (15)</td><td rowspan="1" colspan="1">−0.0043 (15)</td><td rowspan="1" colspan="1">0.0060 (16)</td></tr><tr><td rowspan="1" colspan="1">C12</td><td rowspan="1" colspan="1">0.0274 (19)</td><td rowspan="1" colspan="1">0.030 (2)</td><td rowspan="1" colspan="1">0.042 (2)</td><td rowspan="1" colspan="1">−0.0055 (15)</td><td rowspan="1" colspan="1">−0.0010 (16)</td><td rowspan="1" colspan="1">0.0040 (17)</td></tr><tr><td rowspan="1" colspan="1">C13</td><td rowspan="1" colspan="1">0.046 (2)</td><td rowspan="1" colspan="1">0.034 (2)</td><td rowspan="1" colspan="1">0.043 (2)</td><td rowspan="1" colspan="1">−0.0069 (18)</td><td rowspan="1" colspan="1">−0.0033 (18)</td><td rowspan="1" colspan="1">−0.0003 (18)</td></tr><tr><td rowspan="1" colspan="1">C14</td><td rowspan="1" colspan="1">0.052 (3)</td><td rowspan="1" colspan="1">0.037 (2)</td><td rowspan="1" colspan="1">0.067 (3)</td><td rowspan="1" colspan="1">−0.0048 (19)</td><td rowspan="1" colspan="1">−0.006 (2)</td><td rowspan="1" colspan="1">−0.010 (2)</td></tr><tr><td rowspan="1" colspan="1">C15</td><td rowspan="1" colspan="1">0.061 (3)</td><td rowspan="1" colspan="1">0.027 (2)</td><td rowspan="1" colspan="1">0.089 (4)</td><td rowspan="1" colspan="1">−0.007 (2)</td><td rowspan="1" colspan="1">−0.004 (3)</td><td rowspan="1" colspan="1">0.004 (2)</td></tr><tr><td rowspan="1" colspan="1">C16</td><td rowspan="1" colspan="1">0.051 (3)</td><td rowspan="1" colspan="1">0.042 (3)</td><td rowspan="1" colspan="1">0.069 (3)</td><td rowspan="1" colspan="1">−0.005 (2)</td><td rowspan="1" colspan="1">−0.003 (2)</td><td rowspan="1" colspan="1">0.020 (2)</td></tr><tr><td rowspan="1" colspan="1">C17</td><td rowspan="1" colspan="1">0.037 (2)</td><td rowspan="1" colspan="1">0.038 (2)</td><td rowspan="1" colspan="1">0.048 (2)</td><td rowspan="1" colspan="1">−0.0051 (17)</td><td rowspan="1" colspan="1">−0.0030 (18)</td><td rowspan="1" colspan="1">0.0096 (19)</td></tr><tr><td rowspan="1" colspan="1">C18</td><td rowspan="1" colspan="1">0.051 (3)</td><td rowspan="1" colspan="1">0.057 (3)</td><td rowspan="1" colspan="1">0.046 (3)</td><td rowspan="1" colspan="1">−0.007 (2)</td><td rowspan="1" colspan="1">−0.008 (2)</td><td rowspan="1" colspan="1">0.020 (2)</td></tr><tr><td rowspan="1" colspan="1">C19</td><td rowspan="1" colspan="1">0.051 (3)</td><td rowspan="1" colspan="1">0.059 (3)</td><td rowspan="1" colspan="1">0.035 (2)</td><td rowspan="1" colspan="1">−0.012 (2)</td><td rowspan="1" colspan="1">−0.0053 (18)</td><td rowspan="1" colspan="1">0.006 (2)</td></tr><tr><td rowspan="1" colspan="1">C20</td><td rowspan="1" colspan="1">0.034 (2)</td><td rowspan="1" colspan="1">0.038 (2)</td><td rowspan="1" colspan="1">0.041 (2)</td><td rowspan="1" colspan="1">−0.0059 (17)</td><td rowspan="1" colspan="1">−0.0014 (17)</td><td rowspan="1" colspan="1">0.0030 (18)</td></tr><tr><td rowspan="1" colspan="1">C21</td><td rowspan="1" colspan="1">0.037 (2)</td><td rowspan="1" colspan="1">0.031 (2)</td><td rowspan="1" colspan="1">0.039 (2)</td><td rowspan="1" colspan="1">−0.0070 (17)</td><td rowspan="1" colspan="1">0.0047 (17)</td><td rowspan="1" colspan="1">−0.0022 (17)</td></tr><tr><td rowspan="1" colspan="1">C22</td><td rowspan="1" colspan="1">0.053 (3)</td><td rowspan="1" colspan="1">0.030 (2)</td><td rowspan="1" colspan="1">0.056 (3)</td><td rowspan="1" colspan="1">0.0039 (19)</td><td rowspan="1" colspan="1">0.008 (2)</td><td rowspan="1" colspan="1">−0.0044 (19)</td></tr><tr><td rowspan="1" colspan="1">C23</td><td rowspan="1" colspan="1">0.062 (3)</td><td rowspan="1" colspan="1">0.036 (2)</td><td rowspan="1" colspan="1">0.045 (2)</td><td rowspan="1" colspan="1">−0.008 (2)</td><td rowspan="1" colspan="1">0.008 (2)</td><td rowspan="1" colspan="1">−0.0097 (18)</td></tr><tr><td rowspan="1" colspan="1">C24</td><td rowspan="1" colspan="1">0.046 (2)</td><td rowspan="1" colspan="1">0.033 (2)</td><td rowspan="1" colspan="1">0.036 (2)</td><td rowspan="1" colspan="1">−0.0143 (18)</td><td rowspan="1" colspan="1">0.0021 (18)</td><td rowspan="1" colspan="1">−0.0007 (17)</td></tr><tr><td rowspan="1" colspan="1">C25</td><td rowspan="1" colspan="1">0.058 (3)</td><td rowspan="1" colspan="1">0.049 (3)</td><td rowspan="1" colspan="1">0.046 (2)</td><td rowspan="1" colspan="1">−0.023 (2)</td><td rowspan="1" colspan="1">0.000 (2)</td><td rowspan="1" colspan="1">−0.005 (2)</td></tr><tr><td rowspan="1" colspan="1">C26</td><td rowspan="1" colspan="1">0.057 (3)</td><td rowspan="1" colspan="1">0.071 (3)</td><td rowspan="1" colspan="1">0.049 (3)</td><td rowspan="1" colspan="1">−0.025 (3)</td><td rowspan="1" colspan="1">−0.013 (2)</td><td rowspan="1" colspan="1">0.007 (2)</td></tr><tr><td rowspan="1" colspan="1">C27</td><td rowspan="1" colspan="1">0.042 (2)</td><td rowspan="1" colspan="1">0.050 (3)</td><td rowspan="1" colspan="1">0.063 (3)</td><td rowspan="1" colspan="1">−0.006 (2)</td><td rowspan="1" colspan="1">−0.005 (2)</td><td rowspan="1" colspan="1">0.009 (2)</td></tr><tr><td rowspan="1" colspan="1">C28</td><td rowspan="1" colspan="1">0.039 (2)</td><td rowspan="1" colspan="1">0.037 (2)</td><td rowspan="1" colspan="1">0.047 (2)</td><td rowspan="1" colspan="1">−0.0013 (18)</td><td rowspan="1" colspan="1">0.0019 (18)</td><td rowspan="1" colspan="1">−0.0049 (18)</td></tr><tr><td rowspan="1" colspan="1">C29</td><td rowspan="1" colspan="1">0.040 (2)</td><td rowspan="1" colspan="1">0.030 (2)</td><td rowspan="1" colspan="1">0.035 (2)</td><td rowspan="1" colspan="1">−0.0111 (16)</td><td rowspan="1" colspan="1">0.0025 (17)</td><td rowspan="1" colspan="1">0.0025 (16)</td></tr><tr><td rowspan="1" colspan="1">C30</td><td rowspan="1" colspan="1">0.039 (2)</td><td rowspan="1" colspan="1">0.0295 (19)</td><td rowspan="1" colspan="1">0.033 (2)</td><td rowspan="1" colspan="1">−0.0064 (16)</td><td rowspan="1" colspan="1">0.0014 (16)</td><td rowspan="1" colspan="1">0.0007 (16)</td></tr><tr><td rowspan="1" colspan="1">C31</td><td rowspan="1" colspan="1">0.031 (2)</td><td rowspan="1" colspan="1">0.034 (2)</td><td rowspan="1" colspan="1">0.038 (2)</td><td rowspan="1" colspan="1">−0.0039 (16)</td><td rowspan="1" colspan="1">0.0009 (16)</td><td rowspan="1" colspan="1">−0.0077 (17)</td></tr><tr><td rowspan="1" colspan="1">C32</td><td rowspan="1" colspan="1">0.033 (2)</td><td rowspan="1" colspan="1">0.032 (2)</td><td rowspan="1" colspan="1">0.049 (2)</td><td rowspan="1" colspan="1">−0.0020 (16)</td><td rowspan="1" colspan="1">−0.0029 (17)</td><td rowspan="1" colspan="1">−0.0050 (18)</td></tr><tr><td rowspan="1" colspan="1">C33</td><td rowspan="1" colspan="1">0.054 (3)</td><td rowspan="1" colspan="1">0.034 (2)</td><td rowspan="1" colspan="1">0.059 (3)</td><td rowspan="1" colspan="1">−0.0066 (19)</td><td rowspan="1" colspan="1">−0.007 (2)</td><td rowspan="1" colspan="1">0.000 (2)</td></tr><tr><td rowspan="1" colspan="1">C34</td><td rowspan="1" colspan="1">0.066 (3)</td><td rowspan="1" colspan="1">0.043 (3)</td><td rowspan="1" colspan="1">0.070 (3)</td><td rowspan="1" colspan="1">−0.011 (2)</td><td rowspan="1" colspan="1">−0.008 (2)</td><td rowspan="1" colspan="1">0.011 (2)</td></tr><tr><td rowspan="1" colspan="1">C35</td><td rowspan="1" colspan="1">0.064 (3)</td><td rowspan="1" colspan="1">0.029 (2)</td><td rowspan="1" colspan="1">0.101 (4)</td><td rowspan="1" colspan="1">−0.008 (2)</td><td rowspan="1" colspan="1">−0.013 (3)</td><td rowspan="1" colspan="1">−0.001 (3)</td></tr><tr><td rowspan="1" colspan="1">C36</td><td rowspan="1" colspan="1">0.053 (3)</td><td rowspan="1" colspan="1">0.039 (3)</td><td rowspan="1" colspan="1">0.082 (3)</td><td rowspan="1" colspan="1">−0.004 (2)</td><td rowspan="1" colspan="1">−0.016 (2)</td><td rowspan="1" colspan="1">−0.014 (2)</td></tr><tr><td rowspan="1" colspan="1">C37</td><td rowspan="1" colspan="1">0.039 (2)</td><td rowspan="1" colspan="1">0.035 (2)</td><td rowspan="1" colspan="1">0.059 (3)</td><td rowspan="1" colspan="1">−0.0034 (18)</td><td rowspan="1" colspan="1">−0.0042 (19)</td><td rowspan="1" colspan="1">−0.011 (2)</td></tr><tr><td rowspan="1" colspan="1">C38</td><td rowspan="1" colspan="1">0.062 (3)</td><td rowspan="1" colspan="1">0.050 (3)</td><td rowspan="1" colspan="1">0.058 (3)</td><td rowspan="1" colspan="1">−0.003 (2)</td><td rowspan="1" colspan="1">−0.004 (2)</td><td rowspan="1" colspan="1">−0.024 (2)</td></tr><tr><td rowspan="1" colspan="1">C39</td><td rowspan="1" colspan="1">0.065 (3)</td><td rowspan="1" colspan="1">0.056 (3)</td><td rowspan="1" colspan="1">0.045 (3)</td><td rowspan="1" colspan="1">−0.003 (2)</td><td rowspan="1" colspan="1">−0.003 (2)</td><td rowspan="1" colspan="1">−0.012 (2)</td></tr><tr><td rowspan="1" colspan="1">C40</td><td rowspan="1" colspan="1">0.043 (2)</td><td rowspan="1" colspan="1">0.036 (2)</td><td rowspan="1" colspan="1">0.040 (2)</td><td rowspan="1" colspan="1">−0.0024 (17)</td><td rowspan="1" colspan="1">0.0036 (18)</td><td rowspan="1" colspan="1">−0.0026 (18)</td></tr><tr><td rowspan="1" colspan="1">C41</td><td rowspan="1" colspan="1">0.052 (2)</td><td rowspan="1" colspan="1">0.030 (2)</td><td rowspan="1" colspan="1">0.038 (2)</td><td rowspan="1" colspan="1">−0.0067 (18)</td><td rowspan="1" colspan="1">−0.0003 (18)</td><td rowspan="1" colspan="1">0.0004 (17)</td></tr><tr><td rowspan="1" colspan="1">C42</td><td rowspan="1" colspan="1">0.082 (3)</td><td rowspan="1" colspan="1">0.050 (3)</td><td rowspan="1" colspan="1">0.033 (2)</td><td rowspan="1" colspan="1">−0.018 (2)</td><td rowspan="1" colspan="1">−0.005 (2)</td><td rowspan="1" colspan="1">−0.0039 (19)</td></tr><tr><td rowspan="1" colspan="1">C43</td><td rowspan="1" colspan="1">0.082 (3)</td><td rowspan="1" colspan="1">0.040 (2)</td><td rowspan="1" colspan="1">0.046 (3)</td><td rowspan="1" colspan="1">−0.017 (2)</td><td rowspan="1" colspan="1">−0.001 (2)</td><td rowspan="1" colspan="1">−0.014 (2)</td></tr><tr><td rowspan="1" colspan="1">C44</td><td rowspan="1" colspan="1">0.040 (2)</td><td rowspan="1" colspan="1">0.034 (2)</td><td rowspan="1" colspan="1">0.050 (2)</td><td rowspan="1" colspan="1">−0.0093 (17)</td><td rowspan="1" colspan="1">0.0007 (18)</td><td rowspan="1" colspan="1">−0.0066 (18)</td></tr><tr><td rowspan="1" colspan="1">C45</td><td rowspan="1" colspan="1">0.051 (3)</td><td rowspan="1" colspan="1">0.035 (2)</td><td rowspan="1" colspan="1">0.064 (3)</td><td rowspan="1" colspan="1">−0.0117 (19)</td><td rowspan="1" colspan="1">−0.007 (2)</td><td rowspan="1" colspan="1">−0.008 (2)</td></tr><tr><td rowspan="1" colspan="1">C46</td><td rowspan="1" colspan="1">0.044 (2)</td><td rowspan="1" colspan="1">0.030 (2)</td><td rowspan="1" colspan="1">0.080 (3)</td><td rowspan="1" colspan="1">−0.0124 (18)</td><td rowspan="1" colspan="1">−0.006 (2)</td><td rowspan="1" colspan="1">0.005 (2)</td></tr><tr><td rowspan="1" colspan="1">C47</td><td rowspan="1" colspan="1">0.046 (2)</td><td rowspan="1" colspan="1">0.044 (2)</td><td rowspan="1" colspan="1">0.056 (3)</td><td rowspan="1" colspan="1">−0.0094 (19)</td><td rowspan="1" colspan="1">0.000 (2)</td><td rowspan="1" colspan="1">0.013 (2)</td></tr><tr><td rowspan="1" colspan="1">C48</td><td rowspan="1" colspan="1">0.043 (2)</td><td rowspan="1" colspan="1">0.038 (2)</td><td rowspan="1" colspan="1">0.048 (2)</td><td rowspan="1" colspan="1">−0.0068 (18)</td><td rowspan="1" colspan="1">0.0031 (18)</td><td rowspan="1" colspan="1">0.0031 (19)</td></tr><tr><td rowspan="1" colspan="1">C49</td><td rowspan="1" colspan="1">0.035 (2)</td><td rowspan="1" colspan="1">0.0269 (19)</td><td rowspan="1" colspan="1">0.044 (2)</td><td rowspan="1" colspan="1">−0.0022 (16)</td><td rowspan="1" colspan="1">−0.0012 (17)</td><td rowspan="1" colspan="1">−0.0017 (17)</td></tr><tr><td rowspan="1" colspan="1">C50</td><td rowspan="1" colspan="1">0.033 (2)</td><td rowspan="1" colspan="1">0.030 (2)</td><td rowspan="1" colspan="1">0.039 (2)</td><td rowspan="1" colspan="1">−0.0049 (16)</td><td rowspan="1" colspan="1">0.0003 (16)</td><td rowspan="1" colspan="1">−0.0029 (16)</td></tr><tr><td rowspan="1" colspan="1">C51</td><td rowspan="1" colspan="1">0.035 (2)</td><td rowspan="1" colspan="1">0.0256 (18)</td><td rowspan="1" colspan="1">0.033 (2)</td><td rowspan="1" colspan="1">−0.0059 (15)</td><td rowspan="1" colspan="1">0.0042 (16)</td><td rowspan="1" colspan="1">−0.0011 (15)</td></tr><tr><td rowspan="1" colspan="1">C52</td><td rowspan="1" colspan="1">0.038 (2)</td><td rowspan="1" colspan="1">0.030 (2)</td><td rowspan="1" colspan="1">0.038 (2)</td><td rowspan="1" colspan="1">−0.0104 (16)</td><td rowspan="1" colspan="1">0.0033 (17)</td><td rowspan="1" colspan="1">0.0008 (16)</td></tr><tr><td rowspan="1" colspan="1">C53</td><td rowspan="1" colspan="1">0.039 (2)</td><td rowspan="1" colspan="1">0.040 (2)</td><td rowspan="1" colspan="1">0.047 (2)</td><td rowspan="1" colspan="1">−0.0041 (18)</td><td rowspan="1" colspan="1">−0.0020 (19)</td><td rowspan="1" colspan="1">0.0027 (18)</td></tr><tr><td rowspan="1" colspan="1">C54</td><td rowspan="1" colspan="1">0.043 (2)</td><td rowspan="1" colspan="1">0.056 (3)</td><td rowspan="1" colspan="1">0.058 (3)</td><td rowspan="1" colspan="1">−0.008 (2)</td><td rowspan="1" colspan="1">−0.005 (2)</td><td rowspan="1" colspan="1">0.011 (2)</td></tr><tr><td rowspan="1" colspan="1">C55</td><td rowspan="1" colspan="1">0.060 (3)</td><td rowspan="1" colspan="1">0.075 (3)</td><td rowspan="1" colspan="1">0.050 (3)</td><td rowspan="1" colspan="1">−0.025 (3)</td><td rowspan="1" colspan="1">−0.020 (2)</td><td rowspan="1" colspan="1">0.014 (2)</td></tr><tr><td rowspan="1" colspan="1">C56</td><td rowspan="1" colspan="1">0.074 (3)</td><td rowspan="1" colspan="1">0.059 (3)</td><td rowspan="1" colspan="1">0.041 (2)</td><td rowspan="1" colspan="1">−0.027 (3)</td><td rowspan="1" colspan="1">−0.010 (2)</td><td rowspan="1" colspan="1">−0.004 (2)</td></tr><tr><td rowspan="1" colspan="1">C57</td><td rowspan="1" colspan="1">0.049 (2)</td><td rowspan="1" colspan="1">0.034 (2)</td><td rowspan="1" colspan="1">0.036 (2)</td><td rowspan="1" colspan="1">−0.0119 (18)</td><td rowspan="1" colspan="1">0.0054 (18)</td><td rowspan="1" colspan="1">−0.0032 (17)</td></tr><tr><td rowspan="1" colspan="1">C58</td><td rowspan="1" colspan="1">0.067 (3)</td><td rowspan="1" colspan="1">0.042 (2)</td><td rowspan="1" colspan="1">0.037 (2)</td><td rowspan="1" colspan="1">−0.018 (2)</td><td rowspan="1" colspan="1">0.013 (2)</td><td rowspan="1" colspan="1">−0.0165 (19)</td></tr><tr><td rowspan="1" colspan="1">C59</td><td rowspan="1" colspan="1">0.048 (2)</td><td rowspan="1" colspan="1">0.032 (2)</td><td rowspan="1" colspan="1">0.053 (3)</td><td rowspan="1" colspan="1">−0.0029 (18)</td><td rowspan="1" colspan="1">0.012 (2)</td><td rowspan="1" colspan="1">−0.0079 (19)</td></tr><tr><td rowspan="1" colspan="1">C60</td><td rowspan="1" colspan="1">0.033 (2)</td><td rowspan="1" colspan="1">0.038 (2)</td><td rowspan="1" colspan="1">0.040 (2)</td><td rowspan="1" colspan="1">−0.0050 (17)</td><td rowspan="1" colspan="1">0.0038 (17)</td><td rowspan="1" colspan="1">−0.0003 (17)</td></tr><tr><td rowspan="1" colspan="1">C61</td><td rowspan="1" colspan="1">0.043 (2)</td><td rowspan="1" colspan="1">0.040 (2)</td><td rowspan="1" colspan="1">0.036 (2)</td><td rowspan="1" colspan="1">−0.0093 (18)</td><td rowspan="1" colspan="1">−0.0023 (17)</td><td rowspan="1" colspan="1">−0.0031 (18)</td></tr><tr><td rowspan="1" colspan="1">C62</td><td rowspan="1" colspan="1">0.065 (3)</td><td rowspan="1" colspan="1">0.070 (3)</td><td rowspan="1" colspan="1">0.033 (2)</td><td rowspan="1" colspan="1">−0.022 (2)</td><td rowspan="1" colspan="1">−0.012 (2)</td><td rowspan="1" colspan="1">0.004 (2)</td></tr><tr><td rowspan="1" colspan="1">C63</td><td rowspan="1" colspan="1">0.067 (3)</td><td rowspan="1" colspan="1">0.057 (3)</td><td rowspan="1" colspan="1">0.051 (3)</td><td rowspan="1" colspan="1">−0.016 (2)</td><td rowspan="1" colspan="1">−0.006 (2)</td><td rowspan="1" colspan="1">0.017 (2)</td></tr><tr><td rowspan="1" colspan="1">C64</td><td rowspan="1" colspan="1">0.039 (2)</td><td rowspan="1" colspan="1">0.042 (2)</td><td rowspan="1" colspan="1">0.047 (2)</td><td rowspan="1" colspan="1">−0.0062 (18)</td><td rowspan="1" colspan="1">−0.0060 (18)</td><td rowspan="1" colspan="1">0.0086 (19)</td></tr><tr><td rowspan="1" colspan="1">C65</td><td rowspan="1" colspan="1">0.053 (3)</td><td rowspan="1" colspan="1">0.039 (2)</td><td rowspan="1" colspan="1">0.069 (3)</td><td rowspan="1" colspan="1">−0.006 (2)</td><td rowspan="1" colspan="1">−0.001 (2)</td><td rowspan="1" colspan="1">0.015 (2)</td></tr><tr><td rowspan="1" colspan="1">C66</td><td rowspan="1" colspan="1">0.057 (3)</td><td rowspan="1" colspan="1">0.032 (2)</td><td rowspan="1" colspan="1">0.081 (3)</td><td rowspan="1" colspan="1">−0.006 (2)</td><td rowspan="1" colspan="1">−0.002 (2)</td><td rowspan="1" colspan="1">−0.007 (2)</td></tr><tr><td rowspan="1" colspan="1">C67</td><td rowspan="1" colspan="1">0.051 (3)</td><td rowspan="1" colspan="1">0.041 (2)</td><td rowspan="1" colspan="1">0.059 (3)</td><td rowspan="1" colspan="1">−0.008 (2)</td><td rowspan="1" colspan="1">−0.002 (2)</td><td rowspan="1" colspan="1">−0.014 (2)</td></tr><tr><td rowspan="1" colspan="1">C68</td><td rowspan="1" colspan="1">0.042 (2)</td><td rowspan="1" colspan="1">0.036 (2)</td><td rowspan="1" colspan="1">0.042 (2)</td><td rowspan="1" colspan="1">−0.0073 (18)</td><td rowspan="1" colspan="1">−0.0020 (18)</td><td rowspan="1" colspan="1">−0.0031 (18)</td></tr><tr><td rowspan="1" colspan="1">C69</td><td rowspan="1" colspan="1">0.032 (2)</td><td rowspan="1" colspan="1">0.035 (2)</td><td rowspan="1" colspan="1">0.038 (2)</td><td rowspan="1" colspan="1">−0.0061 (16)</td><td rowspan="1" colspan="1">−0.0011 (16)</td><td rowspan="1" colspan="1">−0.0022 (17)</td></tr><tr><td rowspan="1" colspan="1">C70</td><td rowspan="1" colspan="1">0.034 (2)</td><td rowspan="1" colspan="1">0.034 (2)</td><td rowspan="1" colspan="1">0.035 (2)</td><td rowspan="1" colspan="1">−0.0062 (16)</td><td rowspan="1" colspan="1">−0.0021 (16)</td><td rowspan="1" colspan="1">−0.0031 (16)</td></tr><tr><td rowspan="1" colspan="1">C71</td><td rowspan="1" colspan="1">0.037 (2)</td><td rowspan="1" colspan="1">0.0302 (19)</td><td rowspan="1" colspan="1">0.0291 (19)</td><td rowspan="1" colspan="1">−0.0092 (16)</td><td rowspan="1" colspan="1">0.0005 (16)</td><td rowspan="1" colspan="1">−0.0033 (15)</td></tr><tr><td rowspan="1" colspan="1">C72</td><td rowspan="1" colspan="1">0.035 (2)</td><td rowspan="1" colspan="1">0.0301 (19)</td><td rowspan="1" colspan="1">0.034 (2)</td><td rowspan="1" colspan="1">−0.0029 (16)</td><td rowspan="1" colspan="1">−0.0038 (16)</td><td rowspan="1" colspan="1">−0.0056 (16)</td></tr><tr><td rowspan="1" colspan="1">C73</td><td rowspan="1" colspan="1">0.041 (2)</td><td rowspan="1" colspan="1">0.042 (2)</td><td rowspan="1" colspan="1">0.047 (2)</td><td rowspan="1" colspan="1">−0.0089 (18)</td><td rowspan="1" colspan="1">−0.0074 (18)</td><td rowspan="1" colspan="1">−0.0053 (18)</td></tr><tr><td rowspan="1" colspan="1">C74</td><td rowspan="1" colspan="1">0.045 (3)</td><td rowspan="1" colspan="1">0.055 (3)</td><td rowspan="1" colspan="1">0.071 (3)</td><td rowspan="1" colspan="1">−0.005 (2)</td><td rowspan="1" colspan="1">−0.018 (2)</td><td rowspan="1" colspan="1">−0.009 (2)</td></tr><tr><td rowspan="1" colspan="1">C75</td><td rowspan="1" colspan="1">0.068 (3)</td><td rowspan="1" colspan="1">0.050 (3)</td><td rowspan="1" colspan="1">0.064 (3)</td><td rowspan="1" colspan="1">0.011 (2)</td><td rowspan="1" colspan="1">−0.033 (2)</td><td rowspan="1" colspan="1">−0.010 (2)</td></tr><tr><td rowspan="1" colspan="1">C76</td><td rowspan="1" colspan="1">0.075 (3)</td><td rowspan="1" colspan="1">0.048 (3)</td><td rowspan="1" colspan="1">0.052 (3)</td><td rowspan="1" colspan="1">−0.005 (2)</td><td rowspan="1" colspan="1">−0.023 (2)</td><td rowspan="1" colspan="1">0.006 (2)</td></tr><tr><td rowspan="1" colspan="1">C77</td><td rowspan="1" colspan="1">0.054 (2)</td><td rowspan="1" colspan="1">0.033 (2)</td><td rowspan="1" colspan="1">0.036 (2)</td><td rowspan="1" colspan="1">−0.0048 (18)</td><td rowspan="1" colspan="1">−0.0052 (18)</td><td rowspan="1" colspan="1">−0.0022 (17)</td></tr><tr><td rowspan="1" colspan="1">C78</td><td rowspan="1" colspan="1">0.066 (3)</td><td rowspan="1" colspan="1">0.043 (2)</td><td rowspan="1" colspan="1">0.038 (2)</td><td rowspan="1" colspan="1">−0.018 (2)</td><td rowspan="1" colspan="1">−0.002 (2)</td><td rowspan="1" colspan="1">0.0035 (19)</td></tr><tr><td rowspan="1" colspan="1">C79</td><td rowspan="1" colspan="1">0.047 (2)</td><td rowspan="1" colspan="1">0.046 (2)</td><td rowspan="1" colspan="1">0.048 (2)</td><td rowspan="1" colspan="1">−0.0181 (19)</td><td rowspan="1" colspan="1">0.004 (2)</td><td rowspan="1" colspan="1">−0.008 (2)</td></tr><tr><td rowspan="1" colspan="1">C80</td><td rowspan="1" colspan="1">0.036 (2)</td><td rowspan="1" colspan="1">0.033 (2)</td><td rowspan="1" colspan="1">0.033 (2)</td><td rowspan="1" colspan="1">−0.0040 (16)</td><td rowspan="1" colspan="1">−0.0006 (16)</td><td rowspan="1" colspan="1">−0.0088 (16)</td></tr></table></table-wrap></sec><sec id="tablewrapgeomlong"><title>Geometric parameters (Å, °)</title><table-wrap position="anchor" id="d1e4610"><table rules="all" frame="box" style="table-layout:fixed" summary=""><colgroup span="4"><col span="1"></col><col span="1"></col><col span="1"></col><col span="1"></col></colgroup><tr><td rowspan="1" colspan="1">P1—O3</td><td rowspan="1" colspan="1">1.457 (3)</td><td rowspan="1" colspan="1">C32—C37</td><td rowspan="1" colspan="1">1.417 (5)</td></tr><tr><td rowspan="1" colspan="1">P1—O4</td><td rowspan="1" colspan="1">1.529 (3)</td><td rowspan="1" colspan="1">C33—C34</td><td rowspan="1" colspan="1">1.374 (5)</td></tr><tr><td rowspan="1" colspan="1">P1—O1</td><td rowspan="1" colspan="1">1.572 (3)</td><td rowspan="1" colspan="1">C33—H33</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">P1—O2</td><td rowspan="1" colspan="1">1.583 (2)</td><td rowspan="1" colspan="1">C34—C35</td><td rowspan="1" colspan="1">1.399 (6)</td></tr><tr><td rowspan="1" colspan="1">P2—O7</td><td rowspan="1" colspan="1">1.471 (2)</td><td rowspan="1" colspan="1">C34—H34</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">P2—O8</td><td rowspan="1" colspan="1">1.519 (3)</td><td rowspan="1" colspan="1">C35—C36</td><td rowspan="1" colspan="1">1.344 (6)</td></tr><tr><td rowspan="1" colspan="1">P2—O5</td><td rowspan="1" colspan="1">1.576 (2)</td><td rowspan="1" colspan="1">C35—H35</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">P2—O6</td><td rowspan="1" colspan="1">1.578 (2)</td><td rowspan="1" colspan="1">C36—C37</td><td rowspan="1" colspan="1">1.411 (5)</td></tr><tr><td rowspan="1" colspan="1">P3—O12</td><td rowspan="1" colspan="1">1.442 (3)</td><td rowspan="1" colspan="1">C36—H36</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">P3—O11</td><td rowspan="1" colspan="1">1.528 (3)</td><td rowspan="1" colspan="1">C37—C38</td><td rowspan="1" colspan="1">1.406 (5)</td></tr><tr><td rowspan="1" colspan="1">P3—O10</td><td rowspan="1" colspan="1">1.572 (3)</td><td rowspan="1" colspan="1">C38—C39</td><td rowspan="1" colspan="1">1.356 (5)</td></tr><tr><td rowspan="1" colspan="1">P3—O9</td><td rowspan="1" colspan="1">1.578 (3)</td><td rowspan="1" colspan="1">C38—H38</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">P4—O15</td><td rowspan="1" colspan="1">1.466 (2)</td><td rowspan="1" colspan="1">C39—C40</td><td rowspan="1" colspan="1">1.393 (5)</td></tr><tr><td rowspan="1" colspan="1">P4—O16</td><td rowspan="1" colspan="1">1.524 (3)</td><td rowspan="1" colspan="1">C39—H39</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">P4—O14</td><td rowspan="1" colspan="1">1.576 (2)</td><td rowspan="1" colspan="1">C41—C50</td><td rowspan="1" colspan="1">1.369 (5)</td></tr><tr><td rowspan="1" colspan="1">P4—O13</td><td rowspan="1" colspan="1">1.578 (3)</td><td rowspan="1" colspan="1">C41—C42</td><td rowspan="1" colspan="1">1.396 (5)</td></tr><tr><td rowspan="1" colspan="1">O1—C1</td><td rowspan="1" colspan="1">1.416 (4)</td><td rowspan="1" colspan="1">C42—C43</td><td rowspan="1" colspan="1">1.354 (5)</td></tr><tr><td rowspan="1" colspan="1">O2—C20</td><td rowspan="1" colspan="1">1.416 (4)</td><td rowspan="1" colspan="1">C42—H42</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">O4—H1O</td><td rowspan="1" colspan="1">0.8200</td><td rowspan="1" colspan="1">C43—C44</td><td rowspan="1" colspan="1">1.405 (5)</td></tr><tr><td rowspan="1" colspan="1">O5—C21</td><td rowspan="1" colspan="1">1.408 (4)</td><td rowspan="1" colspan="1">C43—H43</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">O6—C40</td><td rowspan="1" colspan="1">1.413 (4)</td><td rowspan="1" colspan="1">C44—C45</td><td rowspan="1" colspan="1">1.418 (5)</td></tr><tr><td rowspan="1" colspan="1">O8—H2O</td><td rowspan="1" colspan="1">0.8200</td><td rowspan="1" colspan="1">C44—C49</td><td rowspan="1" colspan="1">1.421 (5)</td></tr><tr><td rowspan="1" colspan="1">O9—C41</td><td rowspan="1" colspan="1">1.412 (4)</td><td rowspan="1" colspan="1">C45—C46</td><td rowspan="1" colspan="1">1.338 (5)</td></tr><tr><td rowspan="1" colspan="1">O10—C60</td><td rowspan="1" colspan="1">1.413 (4)</td><td rowspan="1" colspan="1">C45—H45</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">O11—H30</td><td rowspan="1" colspan="1">0.8200</td><td rowspan="1" colspan="1">C46—C47</td><td rowspan="1" colspan="1">1.398 (5)</td></tr><tr><td rowspan="1" colspan="1">O13—C61</td><td rowspan="1" colspan="1">1.420 (4)</td><td rowspan="1" colspan="1">C46—H46</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">O14—C80</td><td rowspan="1" colspan="1">1.410 (4)</td><td rowspan="1" colspan="1">C47—C48</td><td rowspan="1" colspan="1">1.368 (5)</td></tr><tr><td rowspan="1" colspan="1">O16—H4O</td><td rowspan="1" colspan="1">0.8200</td><td rowspan="1" colspan="1">C47—H47</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C1—C10</td><td rowspan="1" colspan="1">1.360 (4)</td><td rowspan="1" colspan="1">C48—C49</td><td rowspan="1" colspan="1">1.405 (5)</td></tr><tr><td rowspan="1" colspan="1">C1—C2</td><td rowspan="1" colspan="1">1.400 (5)</td><td rowspan="1" colspan="1">C48—H48</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C2—C3</td><td rowspan="1" colspan="1">1.352 (5)</td><td rowspan="1" colspan="1">C49—C50</td><td rowspan="1" colspan="1">1.436 (4)</td></tr><tr><td rowspan="1" colspan="1">C2—H2</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C50—C51</td><td rowspan="1" colspan="1">1.493 (4)</td></tr><tr><td rowspan="1" colspan="1">C3—C4</td><td rowspan="1" colspan="1">1.405 (5)</td><td rowspan="1" colspan="1">C51—C60</td><td rowspan="1" colspan="1">1.373 (4)</td></tr><tr><td rowspan="1" colspan="1">C3—H3</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C51—C52</td><td rowspan="1" colspan="1">1.441 (4)</td></tr><tr><td rowspan="1" colspan="1">C4—C5</td><td rowspan="1" colspan="1">1.415 (5)</td><td rowspan="1" colspan="1">C52—C53</td><td rowspan="1" colspan="1">1.414 (5)</td></tr><tr><td rowspan="1" colspan="1">C4—C9</td><td rowspan="1" colspan="1">1.424 (5)</td><td rowspan="1" colspan="1">C52—C57</td><td rowspan="1" colspan="1">1.418 (5)</td></tr><tr><td rowspan="1" colspan="1">C5—C6</td><td rowspan="1" colspan="1">1.351 (6)</td><td rowspan="1" colspan="1">C53—C54</td><td rowspan="1" colspan="1">1.356 (5)</td></tr><tr><td rowspan="1" colspan="1">C5—H5</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C53—H53</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C6—C7</td><td rowspan="1" colspan="1">1.398 (5)</td><td rowspan="1" colspan="1">C54—C55</td><td rowspan="1" colspan="1">1.391 (5)</td></tr><tr><td rowspan="1" colspan="1">C6—H6</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C54—H54</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C7—C8</td><td rowspan="1" colspan="1">1.365 (5)</td><td rowspan="1" colspan="1">C55—C56</td><td rowspan="1" colspan="1">1.356 (5)</td></tr><tr><td rowspan="1" colspan="1">C7—H7</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C55—H55</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C8—C9</td><td rowspan="1" colspan="1">1.407 (5)</td><td rowspan="1" colspan="1">C56—C57</td><td rowspan="1" colspan="1">1.417 (5)</td></tr><tr><td rowspan="1" colspan="1">C8—H8</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C56—H56</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C9—C10</td><td rowspan="1" colspan="1">1.441 (4)</td><td rowspan="1" colspan="1">C57—C58</td><td rowspan="1" colspan="1">1.412 (5)</td></tr><tr><td rowspan="1" colspan="1">C10—C11</td><td rowspan="1" colspan="1">1.493 (4)</td><td rowspan="1" colspan="1">C58—C59</td><td rowspan="1" colspan="1">1.351 (5)</td></tr><tr><td rowspan="1" colspan="1">C11—C20</td><td rowspan="1" colspan="1">1.363 (4)</td><td rowspan="1" colspan="1">C58—H58</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C11—C12</td><td rowspan="1" colspan="1">1.444 (4)</td><td rowspan="1" colspan="1">C59—C60</td><td rowspan="1" colspan="1">1.394 (5)</td></tr><tr><td rowspan="1" colspan="1">C12—C13</td><td rowspan="1" colspan="1">1.407 (5)</td><td rowspan="1" colspan="1">C59—H59</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C12—C17</td><td rowspan="1" colspan="1">1.419 (4)</td><td rowspan="1" colspan="1">C61—C70</td><td rowspan="1" colspan="1">1.367 (4)</td></tr><tr><td rowspan="1" colspan="1">C13—C14</td><td rowspan="1" colspan="1">1.359 (5)</td><td rowspan="1" colspan="1">C61—C62</td><td rowspan="1" colspan="1">1.390 (5)</td></tr><tr><td rowspan="1" colspan="1">C13—H13</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C62—C63</td><td rowspan="1" colspan="1">1.357 (5)</td></tr><tr><td rowspan="1" colspan="1">C14—C15</td><td rowspan="1" colspan="1">1.397 (5)</td><td rowspan="1" colspan="1">C62—H62</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C14—H14</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C63—C64</td><td rowspan="1" colspan="1">1.409 (5)</td></tr><tr><td rowspan="1" colspan="1">C15—C16</td><td rowspan="1" colspan="1">1.350 (5)</td><td rowspan="1" colspan="1">C63—H63</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C15—H15</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C64—C69</td><td rowspan="1" colspan="1">1.417 (5)</td></tr><tr><td rowspan="1" colspan="1">C16—C17</td><td rowspan="1" colspan="1">1.416 (5)</td><td rowspan="1" colspan="1">C64—C65</td><td rowspan="1" colspan="1">1.421 (5)</td></tr><tr><td rowspan="1" colspan="1">C16—H16</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C65—C66</td><td rowspan="1" colspan="1">1.345 (5)</td></tr><tr><td rowspan="1" colspan="1">C17—C18</td><td rowspan="1" colspan="1">1.410 (5)</td><td rowspan="1" colspan="1">C65—H65</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C18—C19</td><td rowspan="1" colspan="1">1.358 (5)</td><td rowspan="1" colspan="1">C66—C67</td><td rowspan="1" colspan="1">1.393 (5)</td></tr><tr><td rowspan="1" colspan="1">C18—H18</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C66—H66</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C19—C20</td><td rowspan="1" colspan="1">1.396 (5)</td><td rowspan="1" colspan="1">C67—C68</td><td rowspan="1" colspan="1">1.353 (5)</td></tr><tr><td rowspan="1" colspan="1">C19—H19</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C67—H67</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C21—C30</td><td rowspan="1" colspan="1">1.372 (4)</td><td rowspan="1" colspan="1">C68—C69</td><td rowspan="1" colspan="1">1.410 (5)</td></tr><tr><td rowspan="1" colspan="1">C21—C22</td><td rowspan="1" colspan="1">1.395 (5)</td><td rowspan="1" colspan="1">C68—H68</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C22—C23</td><td rowspan="1" colspan="1">1.358 (5)</td><td rowspan="1" colspan="1">C69—C70</td><td rowspan="1" colspan="1">1.436 (4)</td></tr><tr><td rowspan="1" colspan="1">C22—H22</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C70—C71</td><td rowspan="1" colspan="1">1.494 (4)</td></tr><tr><td rowspan="1" colspan="1">C23—C24</td><td rowspan="1" colspan="1">1.416 (5)</td><td rowspan="1" colspan="1">C71—C80</td><td rowspan="1" colspan="1">1.364 (4)</td></tr><tr><td rowspan="1" colspan="1">C23—H23</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C71—C72</td><td rowspan="1" colspan="1">1.441 (4)</td></tr><tr><td rowspan="1" colspan="1">C24—C25</td><td rowspan="1" colspan="1">1.411 (5)</td><td rowspan="1" colspan="1">C72—C73</td><td rowspan="1" colspan="1">1.408 (5)</td></tr><tr><td rowspan="1" colspan="1">C24—C29</td><td rowspan="1" colspan="1">1.431 (5)</td><td rowspan="1" colspan="1">C72—C77</td><td rowspan="1" colspan="1">1.420 (5)</td></tr><tr><td rowspan="1" colspan="1">C25—C26</td><td rowspan="1" colspan="1">1.356 (5)</td><td rowspan="1" colspan="1">C73—C74</td><td rowspan="1" colspan="1">1.364 (5)</td></tr><tr><td rowspan="1" colspan="1">C25—H25</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C73—H73</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C26—C27</td><td rowspan="1" colspan="1">1.397 (5)</td><td rowspan="1" colspan="1">C74—C75</td><td rowspan="1" colspan="1">1.396 (6)</td></tr><tr><td rowspan="1" colspan="1">C26—H26</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C74—H74</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C27—C28</td><td rowspan="1" colspan="1">1.356 (5)</td><td rowspan="1" colspan="1">C75—C76</td><td rowspan="1" colspan="1">1.351 (6)</td></tr><tr><td rowspan="1" colspan="1">C27—H27</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C75—H75</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C28—C29</td><td rowspan="1" colspan="1">1.412 (5)</td><td rowspan="1" colspan="1">C76—C77</td><td rowspan="1" colspan="1">1.413 (5)</td></tr><tr><td rowspan="1" colspan="1">C28—H28</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C76—H76</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C29—C30</td><td rowspan="1" colspan="1">1.431 (5)</td><td rowspan="1" colspan="1">C77—C78</td><td rowspan="1" colspan="1">1.404 (5)</td></tr><tr><td rowspan="1" colspan="1">C30—C31</td><td rowspan="1" colspan="1">1.488 (4)</td><td rowspan="1" colspan="1">C78—C79</td><td rowspan="1" colspan="1">1.362 (5)</td></tr><tr><td rowspan="1" colspan="1">C31—C40</td><td rowspan="1" colspan="1">1.361 (5)</td><td rowspan="1" colspan="1">C78—H78</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C31—C32</td><td rowspan="1" colspan="1">1.440 (5)</td><td rowspan="1" colspan="1">C79—C80</td><td rowspan="1" colspan="1">1.399 (5)</td></tr><tr><td rowspan="1" colspan="1">C32—C33</td><td rowspan="1" colspan="1">1.409 (5)</td><td rowspan="1" colspan="1">C79—H79</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O3—P1—O4</td><td rowspan="1" colspan="1">117.18 (16)</td><td rowspan="1" colspan="1">C36—C35—C34</td><td rowspan="1" colspan="1">119.7 (4)</td></tr><tr><td rowspan="1" colspan="1">O3—P1—O1</td><td rowspan="1" colspan="1">107.23 (16)</td><td rowspan="1" colspan="1">C36—C35—H35</td><td rowspan="1" colspan="1">120.2</td></tr><tr><td rowspan="1" colspan="1">O4—P1—O1</td><td rowspan="1" colspan="1">110.50 (14)</td><td rowspan="1" colspan="1">C34—C35—H35</td><td rowspan="1" colspan="1">120.2</td></tr><tr><td rowspan="1" colspan="1">O3—P1—O2</td><td rowspan="1" colspan="1">115.41 (15)</td><td rowspan="1" colspan="1">C35—C36—C37</td><td rowspan="1" colspan="1">121.4 (4)</td></tr><tr><td rowspan="1" colspan="1">O4—P1—O2</td><td rowspan="1" colspan="1">100.66 (14)</td><td rowspan="1" colspan="1">C35—C36—H36</td><td rowspan="1" colspan="1">119.3</td></tr><tr><td rowspan="1" colspan="1">O1—P1—O2</td><td rowspan="1" colspan="1">105.23 (13)</td><td rowspan="1" colspan="1">C37—C36—H36</td><td rowspan="1" colspan="1">119.3</td></tr><tr><td rowspan="1" colspan="1">O7—P2—O8</td><td rowspan="1" colspan="1">116.74 (15)</td><td rowspan="1" colspan="1">C38—C37—C36</td><td rowspan="1" colspan="1">121.4 (4)</td></tr><tr><td rowspan="1" colspan="1">O7—P2—O5</td><td rowspan="1" colspan="1">114.68 (15)</td><td rowspan="1" colspan="1">C38—C37—C32</td><td rowspan="1" colspan="1">118.8 (3)</td></tr><tr><td rowspan="1" colspan="1">O8—P2—O5</td><td rowspan="1" colspan="1">100.86 (14)</td><td rowspan="1" colspan="1">C36—C37—C32</td><td rowspan="1" colspan="1">119.7 (4)</td></tr><tr><td rowspan="1" colspan="1">O7—P2—O6</td><td rowspan="1" colspan="1">108.12 (14)</td><td rowspan="1" colspan="1">C39—C38—C37</td><td rowspan="1" colspan="1">121.6 (4)</td></tr><tr><td rowspan="1" colspan="1">O8—P2—O6</td><td rowspan="1" colspan="1">111.19 (15)</td><td rowspan="1" colspan="1">C39—C38—H38</td><td rowspan="1" colspan="1">119.2</td></tr><tr><td rowspan="1" colspan="1">O5—P2—O6</td><td rowspan="1" colspan="1">104.54 (13)</td><td rowspan="1" colspan="1">C37—C38—H38</td><td rowspan="1" colspan="1">119.2</td></tr><tr><td rowspan="1" colspan="1">O12—P3—O11</td><td rowspan="1" colspan="1">116.93 (18)</td><td rowspan="1" colspan="1">C38—C39—C40</td><td rowspan="1" colspan="1">118.5 (4)</td></tr><tr><td rowspan="1" colspan="1">O12—P3—O10</td><td rowspan="1" colspan="1">109.23 (18)</td><td rowspan="1" colspan="1">C38—C39—H39</td><td rowspan="1" colspan="1">120.8</td></tr><tr><td rowspan="1" colspan="1">O11—P3—O10</td><td rowspan="1" colspan="1">106.08 (15)</td><td rowspan="1" colspan="1">C40—C39—H39</td><td rowspan="1" colspan="1">120.8</td></tr><tr><td rowspan="1" colspan="1">O12—P3—O9</td><td rowspan="1" colspan="1">114.84 (19)</td><td rowspan="1" colspan="1">C31—C40—C39</td><td rowspan="1" colspan="1">124.4 (4)</td></tr><tr><td rowspan="1" colspan="1">O11—P3—O9</td><td rowspan="1" colspan="1">103.64 (14)</td><td rowspan="1" colspan="1">C31—C40—O6</td><td rowspan="1" colspan="1">119.2 (3)</td></tr><tr><td rowspan="1" colspan="1">O10—P3—O9</td><td rowspan="1" colspan="1">105.14 (13)</td><td rowspan="1" colspan="1">C39—C40—O6</td><td rowspan="1" colspan="1">116.4 (3)</td></tr><tr><td rowspan="1" colspan="1">O15—P4—O16</td><td rowspan="1" colspan="1">117.59 (16)</td><td rowspan="1" colspan="1">C50—C41—C42</td><td rowspan="1" colspan="1">124.4 (3)</td></tr><tr><td rowspan="1" colspan="1">O15—P4—O14</td><td rowspan="1" colspan="1">114.69 (15)</td><td rowspan="1" colspan="1">C50—C41—O9</td><td rowspan="1" colspan="1">118.9 (3)</td></tr><tr><td rowspan="1" colspan="1">O16—P4—O14</td><td rowspan="1" colspan="1">101.59 (15)</td><td rowspan="1" colspan="1">C42—C41—O9</td><td rowspan="1" colspan="1">116.7 (3)</td></tr><tr><td rowspan="1" colspan="1">O15—P4—O13</td><td rowspan="1" colspan="1">107.79 (15)</td><td rowspan="1" colspan="1">C43—C42—C41</td><td rowspan="1" colspan="1">118.2 (4)</td></tr><tr><td rowspan="1" colspan="1">O16—P4—O13</td><td rowspan="1" colspan="1">109.82 (15)</td><td rowspan="1" colspan="1">C43—C42—H42</td><td rowspan="1" colspan="1">120.9</td></tr><tr><td rowspan="1" colspan="1">O14—P4—O13</td><td rowspan="1" colspan="1">104.53 (13)</td><td rowspan="1" colspan="1">C41—C42—H42</td><td rowspan="1" colspan="1">120.9</td></tr><tr><td rowspan="1" colspan="1">C1—O1—P1</td><td rowspan="1" colspan="1">117.7 (2)</td><td rowspan="1" colspan="1">C42—C43—C44</td><td rowspan="1" colspan="1">121.6 (4)</td></tr><tr><td rowspan="1" colspan="1">C20—O2—P1</td><td rowspan="1" colspan="1">114.8 (2)</td><td rowspan="1" colspan="1">C42—C43—H43</td><td rowspan="1" colspan="1">119.2</td></tr><tr><td rowspan="1" colspan="1">P1—O4—H1O</td><td rowspan="1" colspan="1">109.5</td><td rowspan="1" colspan="1">C44—C43—H43</td><td rowspan="1" colspan="1">119.2</td></tr><tr><td rowspan="1" colspan="1">C21—O5—P2</td><td rowspan="1" colspan="1">116.8 (2)</td><td rowspan="1" colspan="1">C43—C44—C45</td><td rowspan="1" colspan="1">121.3 (4)</td></tr><tr><td rowspan="1" colspan="1">C40—O6—P2</td><td rowspan="1" colspan="1">118.2 (2)</td><td rowspan="1" colspan="1">C43—C44—C49</td><td rowspan="1" colspan="1">119.6 (3)</td></tr><tr><td rowspan="1" colspan="1">P2—O8—H2O</td><td rowspan="1" colspan="1">109.5</td><td rowspan="1" colspan="1">C45—C44—C49</td><td rowspan="1" colspan="1">119.1 (3)</td></tr><tr><td rowspan="1" colspan="1">C41—O9—P3</td><td rowspan="1" colspan="1">118.8 (2)</td><td rowspan="1" colspan="1">C46—C45—C44</td><td rowspan="1" colspan="1">121.2 (4)</td></tr><tr><td rowspan="1" colspan="1">C60—O10—P3</td><td rowspan="1" colspan="1">116.4 (2)</td><td rowspan="1" colspan="1">C46—C45—H45</td><td rowspan="1" colspan="1">119.4</td></tr><tr><td rowspan="1" colspan="1">P3—O11—H30</td><td rowspan="1" colspan="1">109.5</td><td rowspan="1" colspan="1">C44—C45—H45</td><td rowspan="1" colspan="1">119.4</td></tr><tr><td rowspan="1" colspan="1">C61—O13—P4</td><td rowspan="1" colspan="1">116.0 (2)</td><td rowspan="1" colspan="1">C45—C46—C47</td><td rowspan="1" colspan="1">120.3 (4)</td></tr><tr><td rowspan="1" colspan="1">C80—O14—P4</td><td rowspan="1" colspan="1">118.2 (2)</td><td rowspan="1" colspan="1">C45—C46—H46</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">P4—O16—H4O</td><td rowspan="1" colspan="1">109.5</td><td rowspan="1" colspan="1">C47—C46—H46</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">C10—C1—C2</td><td rowspan="1" colspan="1">123.8 (3)</td><td rowspan="1" colspan="1">C48—C47—C46</td><td rowspan="1" colspan="1">120.4 (4)</td></tr><tr><td rowspan="1" colspan="1">C10—C1—O1</td><td rowspan="1" colspan="1">119.1 (3)</td><td rowspan="1" colspan="1">C48—C47—H47</td><td rowspan="1" colspan="1">119.8</td></tr><tr><td rowspan="1" colspan="1">C2—C1—O1</td><td rowspan="1" colspan="1">117.1 (3)</td><td rowspan="1" colspan="1">C46—C47—H47</td><td rowspan="1" colspan="1">119.8</td></tr><tr><td rowspan="1" colspan="1">C3—C2—C1</td><td rowspan="1" colspan="1">118.9 (4)</td><td rowspan="1" colspan="1">C47—C48—C49</td><td rowspan="1" colspan="1">121.2 (4)</td></tr><tr><td rowspan="1" colspan="1">C3—C2—H2</td><td rowspan="1" colspan="1">120.6</td><td rowspan="1" colspan="1">C47—C48—H48</td><td rowspan="1" colspan="1">119.4</td></tr><tr><td rowspan="1" colspan="1">C1—C2—H2</td><td rowspan="1" colspan="1">120.6</td><td rowspan="1" colspan="1">C49—C48—H48</td><td rowspan="1" colspan="1">119.4</td></tr><tr><td rowspan="1" colspan="1">C2—C3—C4</td><td rowspan="1" colspan="1">121.3 (3)</td><td rowspan="1" colspan="1">C48—C49—C44</td><td rowspan="1" colspan="1">117.8 (3)</td></tr><tr><td rowspan="1" colspan="1">C2—C3—H3</td><td rowspan="1" colspan="1">119.3</td><td rowspan="1" colspan="1">C48—C49—C50</td><td rowspan="1" colspan="1">123.2 (3)</td></tr><tr><td rowspan="1" colspan="1">C4—C3—H3</td><td rowspan="1" colspan="1">119.3</td><td rowspan="1" colspan="1">C44—C49—C50</td><td rowspan="1" colspan="1">119.0 (3)</td></tr><tr><td rowspan="1" colspan="1">C3—C4—C5</td><td rowspan="1" colspan="1">122.2 (4)</td><td rowspan="1" colspan="1">C41—C50—C49</td><td rowspan="1" colspan="1">117.1 (3)</td></tr><tr><td rowspan="1" colspan="1">C3—C4—C9</td><td rowspan="1" colspan="1">119.4 (3)</td><td rowspan="1" colspan="1">C41—C50—C51</td><td rowspan="1" colspan="1">119.9 (3)</td></tr><tr><td rowspan="1" colspan="1">C5—C4—C9</td><td rowspan="1" colspan="1">118.4 (4)</td><td rowspan="1" colspan="1">C49—C50—C51</td><td rowspan="1" colspan="1">122.9 (3)</td></tr><tr><td rowspan="1" colspan="1">C6—C5—C4</td><td rowspan="1" colspan="1">122.2 (4)</td><td rowspan="1" colspan="1">C60—C51—C52</td><td rowspan="1" colspan="1">116.3 (3)</td></tr><tr><td rowspan="1" colspan="1">C6—C5—H5</td><td rowspan="1" colspan="1">118.9</td><td rowspan="1" colspan="1">C60—C51—C50</td><td rowspan="1" colspan="1">120.4 (3)</td></tr><tr><td rowspan="1" colspan="1">C4—C5—H5</td><td rowspan="1" colspan="1">118.9</td><td rowspan="1" colspan="1">C52—C51—C50</td><td rowspan="1" colspan="1">123.1 (3)</td></tr><tr><td rowspan="1" colspan="1">C5—C6—C7</td><td rowspan="1" colspan="1">119.3 (4)</td><td rowspan="1" colspan="1">C53—C52—C57</td><td rowspan="1" colspan="1">117.9 (3)</td></tr><tr><td rowspan="1" colspan="1">C5—C6—H6</td><td rowspan="1" colspan="1">120.4</td><td rowspan="1" colspan="1">C53—C52—C51</td><td rowspan="1" colspan="1">122.4 (3)</td></tr><tr><td rowspan="1" colspan="1">C7—C6—H6</td><td rowspan="1" colspan="1">120.4</td><td rowspan="1" colspan="1">C57—C52—C51</td><td rowspan="1" colspan="1">119.7 (3)</td></tr><tr><td rowspan="1" colspan="1">C8—C7—C6</td><td rowspan="1" colspan="1">120.7 (4)</td><td rowspan="1" colspan="1">C54—C53—C52</td><td rowspan="1" colspan="1">121.1 (4)</td></tr><tr><td rowspan="1" colspan="1">C8—C7—H7</td><td rowspan="1" colspan="1">119.7</td><td rowspan="1" colspan="1">C54—C53—H53</td><td rowspan="1" colspan="1">119.4</td></tr><tr><td rowspan="1" colspan="1">C6—C7—H7</td><td rowspan="1" colspan="1">119.7</td><td rowspan="1" colspan="1">C52—C53—H53</td><td rowspan="1" colspan="1">119.4</td></tr><tr><td rowspan="1" colspan="1">C7—C8—C9</td><td rowspan="1" colspan="1">121.5 (4)</td><td rowspan="1" colspan="1">C53—C54—C55</td><td rowspan="1" colspan="1">121.1 (4)</td></tr><tr><td rowspan="1" colspan="1">C7—C8—H8</td><td rowspan="1" colspan="1">119.2</td><td rowspan="1" colspan="1">C53—C54—H54</td><td rowspan="1" colspan="1">119.4</td></tr><tr><td rowspan="1" colspan="1">C9—C8—H8</td><td rowspan="1" colspan="1">119.2</td><td rowspan="1" colspan="1">C55—C54—H54</td><td rowspan="1" colspan="1">119.4</td></tr><tr><td rowspan="1" colspan="1">C8—C9—C4</td><td rowspan="1" colspan="1">117.9 (3)</td><td rowspan="1" colspan="1">C56—C55—C54</td><td rowspan="1" colspan="1">119.7 (4)</td></tr><tr><td rowspan="1" colspan="1">C8—C9—C10</td><td rowspan="1" colspan="1">123.2 (3)</td><td rowspan="1" colspan="1">C56—C55—H55</td><td rowspan="1" colspan="1">120.1</td></tr><tr><td rowspan="1" colspan="1">C4—C9—C10</td><td rowspan="1" colspan="1">118.9 (3)</td><td rowspan="1" colspan="1">C54—C55—H55</td><td rowspan="1" colspan="1">120.1</td></tr><tr><td rowspan="1" colspan="1">C1—C10—C9</td><td rowspan="1" colspan="1">117.6 (3)</td><td rowspan="1" colspan="1">C55—C56—C57</td><td rowspan="1" colspan="1">121.1 (4)</td></tr><tr><td rowspan="1" colspan="1">C1—C10—C11</td><td rowspan="1" colspan="1">119.0 (3)</td><td rowspan="1" colspan="1">C55—C56—H56</td><td rowspan="1" colspan="1">119.4</td></tr><tr><td rowspan="1" colspan="1">C9—C10—C11</td><td rowspan="1" colspan="1">123.4 (3)</td><td rowspan="1" colspan="1">C57—C56—H56</td><td rowspan="1" colspan="1">119.4</td></tr><tr><td rowspan="1" colspan="1">C20—C11—C12</td><td rowspan="1" colspan="1">117.2 (3)</td><td rowspan="1" colspan="1">C58—C57—C56</td><td rowspan="1" colspan="1">121.6 (4)</td></tr><tr><td rowspan="1" colspan="1">C20—C11—C10</td><td rowspan="1" colspan="1">120.2 (3)</td><td rowspan="1" colspan="1">C58—C57—C52</td><td rowspan="1" colspan="1">119.3 (3)</td></tr><tr><td rowspan="1" colspan="1">C12—C11—C10</td><td rowspan="1" colspan="1">122.3 (3)</td><td rowspan="1" colspan="1">C56—C57—C52</td><td rowspan="1" colspan="1">119.0 (4)</td></tr><tr><td rowspan="1" colspan="1">C13—C12—C17</td><td rowspan="1" colspan="1">117.9 (3)</td><td rowspan="1" colspan="1">C59—C58—C57</td><td rowspan="1" colspan="1">121.2 (3)</td></tr><tr><td rowspan="1" colspan="1">C13—C12—C11</td><td rowspan="1" colspan="1">122.9 (3)</td><td rowspan="1" colspan="1">C59—C58—H58</td><td rowspan="1" colspan="1">119.4</td></tr><tr><td rowspan="1" colspan="1">C17—C12—C11</td><td rowspan="1" colspan="1">119.1 (3)</td><td rowspan="1" colspan="1">C57—C58—H58</td><td rowspan="1" colspan="1">119.4</td></tr><tr><td rowspan="1" colspan="1">C14—C13—C12</td><td rowspan="1" colspan="1">121.2 (3)</td><td rowspan="1" colspan="1">C58—C59—C60</td><td rowspan="1" colspan="1">118.7 (4)</td></tr><tr><td rowspan="1" colspan="1">C14—C13—H13</td><td rowspan="1" colspan="1">119.4</td><td rowspan="1" colspan="1">C58—C59—H59</td><td rowspan="1" colspan="1">120.6</td></tr><tr><td rowspan="1" colspan="1">C12—C13—H13</td><td rowspan="1" colspan="1">119.4</td><td rowspan="1" colspan="1">C60—C59—H59</td><td rowspan="1" colspan="1">120.6</td></tr><tr><td rowspan="1" colspan="1">C13—C14—C15</td><td rowspan="1" colspan="1">120.9 (4)</td><td rowspan="1" colspan="1">C51—C60—C59</td><td rowspan="1" colspan="1">124.5 (3)</td></tr><tr><td rowspan="1" colspan="1">C13—C14—H14</td><td rowspan="1" colspan="1">119.6</td><td rowspan="1" colspan="1">C51—C60—O10</td><td rowspan="1" colspan="1">118.9 (3)</td></tr><tr><td rowspan="1" colspan="1">C15—C14—H14</td><td rowspan="1" colspan="1">119.6</td><td rowspan="1" colspan="1">C59—C60—O10</td><td rowspan="1" colspan="1">116.6 (3)</td></tr><tr><td rowspan="1" colspan="1">C16—C15—C14</td><td rowspan="1" colspan="1">119.8 (4)</td><td rowspan="1" colspan="1">C70—C61—C62</td><td rowspan="1" colspan="1">124.3 (3)</td></tr><tr><td rowspan="1" colspan="1">C16—C15—H15</td><td rowspan="1" colspan="1">120.1</td><td rowspan="1" colspan="1">C70—C61—O13</td><td rowspan="1" colspan="1">118.3 (3)</td></tr><tr><td rowspan="1" colspan="1">C14—C15—H15</td><td rowspan="1" colspan="1">120.1</td><td rowspan="1" colspan="1">C62—C61—O13</td><td rowspan="1" colspan="1">117.3 (3)</td></tr><tr><td rowspan="1" colspan="1">C15—C16—C17</td><td rowspan="1" colspan="1">121.2 (4)</td><td rowspan="1" colspan="1">C63—C62—C61</td><td rowspan="1" colspan="1">118.9 (4)</td></tr><tr><td rowspan="1" colspan="1">C15—C16—H16</td><td rowspan="1" colspan="1">119.4</td><td rowspan="1" colspan="1">C63—C62—H62</td><td rowspan="1" colspan="1">120.5</td></tr><tr><td rowspan="1" colspan="1">C17—C16—H16</td><td rowspan="1" colspan="1">119.4</td><td rowspan="1" colspan="1">C61—C62—H62</td><td rowspan="1" colspan="1">120.5</td></tr><tr><td rowspan="1" colspan="1">C18—C17—C16</td><td rowspan="1" colspan="1">121.4 (4)</td><td rowspan="1" colspan="1">C62—C63—C64</td><td rowspan="1" colspan="1">120.7 (4)</td></tr><tr><td rowspan="1" colspan="1">C18—C17—C12</td><td rowspan="1" colspan="1">119.5 (3)</td><td rowspan="1" colspan="1">C62—C63—H63</td><td rowspan="1" colspan="1">119.6</td></tr><tr><td rowspan="1" colspan="1">C16—C17—C12</td><td rowspan="1" colspan="1">119.0 (4)</td><td rowspan="1" colspan="1">C64—C63—H63</td><td rowspan="1" colspan="1">119.6</td></tr><tr><td rowspan="1" colspan="1">C19—C18—C17</td><td rowspan="1" colspan="1">121.0 (4)</td><td rowspan="1" colspan="1">C63—C64—C69</td><td rowspan="1" colspan="1">119.6 (3)</td></tr><tr><td rowspan="1" colspan="1">C19—C18—H18</td><td rowspan="1" colspan="1">119.5</td><td rowspan="1" colspan="1">C63—C64—C65</td><td rowspan="1" colspan="1">121.4 (4)</td></tr><tr><td rowspan="1" colspan="1">C17—C18—H18</td><td rowspan="1" colspan="1">119.5</td><td rowspan="1" colspan="1">C69—C64—C65</td><td rowspan="1" colspan="1">119.0 (4)</td></tr><tr><td rowspan="1" colspan="1">C18—C19—C20</td><td rowspan="1" colspan="1">118.8 (4)</td><td rowspan="1" colspan="1">C66—C65—C64</td><td rowspan="1" colspan="1">120.8 (4)</td></tr><tr><td rowspan="1" colspan="1">C18—C19—H19</td><td rowspan="1" colspan="1">120.6</td><td rowspan="1" colspan="1">C66—C65—H65</td><td rowspan="1" colspan="1">119.6</td></tr><tr><td rowspan="1" colspan="1">C20—C19—H19</td><td rowspan="1" colspan="1">120.6</td><td rowspan="1" colspan="1">C64—C65—H65</td><td rowspan="1" colspan="1">119.6</td></tr><tr><td rowspan="1" colspan="1">C11—C20—C19</td><td rowspan="1" colspan="1">124.0 (3)</td><td rowspan="1" colspan="1">C65—C66—C67</td><td rowspan="1" colspan="1">120.2 (4)</td></tr><tr><td rowspan="1" colspan="1">C11—C20—O2</td><td rowspan="1" colspan="1">118.7 (3)</td><td rowspan="1" colspan="1">C65—C66—H66</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">C19—C20—O2</td><td rowspan="1" colspan="1">117.2 (3)</td><td rowspan="1" colspan="1">C67—C66—H66</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">C30—C21—C22</td><td rowspan="1" colspan="1">124.0 (3)</td><td rowspan="1" colspan="1">C68—C67—C66</td><td rowspan="1" colspan="1">121.1 (4)</td></tr><tr><td rowspan="1" colspan="1">C30—C21—O5</td><td rowspan="1" colspan="1">119.4 (3)</td><td rowspan="1" colspan="1">C68—C67—H67</td><td rowspan="1" colspan="1">119.5</td></tr><tr><td rowspan="1" colspan="1">C22—C21—O5</td><td rowspan="1" colspan="1">116.6 (3)</td><td rowspan="1" colspan="1">C66—C67—H67</td><td rowspan="1" colspan="1">119.5</td></tr><tr><td rowspan="1" colspan="1">C23—C22—C21</td><td rowspan="1" colspan="1">119.5 (4)</td><td rowspan="1" colspan="1">C67—C68—C69</td><td rowspan="1" colspan="1">121.0 (4)</td></tr><tr><td rowspan="1" colspan="1">C23—C22—H22</td><td rowspan="1" colspan="1">120.3</td><td rowspan="1" colspan="1">C67—C68—H68</td><td rowspan="1" colspan="1">119.5</td></tr><tr><td rowspan="1" colspan="1">C21—C22—H22</td><td rowspan="1" colspan="1">120.3</td><td rowspan="1" colspan="1">C69—C68—H68</td><td rowspan="1" colspan="1">119.5</td></tr><tr><td rowspan="1" colspan="1">C22—C23—C24</td><td rowspan="1" colspan="1">120.3 (4)</td><td rowspan="1" colspan="1">C68—C69—C64</td><td rowspan="1" colspan="1">118.0 (3)</td></tr><tr><td rowspan="1" colspan="1">C22—C23—H23</td><td rowspan="1" colspan="1">119.8</td><td rowspan="1" colspan="1">C68—C69—C70</td><td rowspan="1" colspan="1">122.5 (3)</td></tr><tr><td rowspan="1" colspan="1">C24—C23—H23</td><td rowspan="1" colspan="1">119.8</td><td rowspan="1" colspan="1">C64—C69—C70</td><td rowspan="1" colspan="1">119.4 (3)</td></tr><tr><td rowspan="1" colspan="1">C25—C24—C23</td><td rowspan="1" colspan="1">121.6 (4)</td><td rowspan="1" colspan="1">C61—C70—C69</td><td rowspan="1" colspan="1">116.9 (3)</td></tr><tr><td rowspan="1" colspan="1">C25—C24—C29</td><td rowspan="1" colspan="1">118.9 (3)</td><td rowspan="1" colspan="1">C61—C70—C71</td><td rowspan="1" colspan="1">120.0 (3)</td></tr><tr><td rowspan="1" colspan="1">C23—C24—C29</td><td rowspan="1" colspan="1">119.5 (3)</td><td rowspan="1" colspan="1">C69—C70—C71</td><td rowspan="1" colspan="1">122.8 (3)</td></tr><tr><td rowspan="1" colspan="1">C26—C25—C24</td><td rowspan="1" colspan="1">121.4 (4)</td><td rowspan="1" colspan="1">C80—C71—C72</td><td rowspan="1" colspan="1">117.8 (3)</td></tr><tr><td rowspan="1" colspan="1">C26—C25—H25</td><td rowspan="1" colspan="1">119.3</td><td rowspan="1" colspan="1">C80—C71—C70</td><td rowspan="1" colspan="1">119.4 (3)</td></tr><tr><td rowspan="1" colspan="1">C24—C25—H25</td><td rowspan="1" colspan="1">119.3</td><td rowspan="1" colspan="1">C72—C71—C70</td><td rowspan="1" colspan="1">122.8 (3)</td></tr><tr><td rowspan="1" colspan="1">C25—C26—C27</td><td rowspan="1" colspan="1">119.9 (4)</td><td rowspan="1" colspan="1">C73—C72—C77</td><td rowspan="1" colspan="1">118.6 (3)</td></tr><tr><td rowspan="1" colspan="1">C25—C26—H26</td><td rowspan="1" colspan="1">120.1</td><td rowspan="1" colspan="1">C73—C72—C71</td><td rowspan="1" colspan="1">122.9 (3)</td></tr><tr><td rowspan="1" colspan="1">C27—C26—H26</td><td rowspan="1" colspan="1">120.1</td><td rowspan="1" colspan="1">C77—C72—C71</td><td rowspan="1" colspan="1">118.5 (3)</td></tr><tr><td rowspan="1" colspan="1">C28—C27—C26</td><td rowspan="1" colspan="1">120.7 (4)</td><td rowspan="1" colspan="1">C74—C73—C72</td><td rowspan="1" colspan="1">121.1 (4)</td></tr><tr><td rowspan="1" colspan="1">C28—C27—H27</td><td rowspan="1" colspan="1">119.6</td><td rowspan="1" colspan="1">C74—C73—H73</td><td rowspan="1" colspan="1">119.5</td></tr><tr><td rowspan="1" colspan="1">C26—C27—H27</td><td rowspan="1" colspan="1">119.6</td><td rowspan="1" colspan="1">C72—C73—H73</td><td rowspan="1" colspan="1">119.5</td></tr><tr><td rowspan="1" colspan="1">C27—C28—C29</td><td rowspan="1" colspan="1">121.6 (4)</td><td rowspan="1" colspan="1">C73—C74—C75</td><td rowspan="1" colspan="1">120.3 (4)</td></tr><tr><td rowspan="1" colspan="1">C27—C28—H28</td><td rowspan="1" colspan="1">119.2</td><td rowspan="1" colspan="1">C73—C74—H74</td><td rowspan="1" colspan="1">119.8</td></tr><tr><td rowspan="1" colspan="1">C29—C28—H28</td><td rowspan="1" colspan="1">119.2</td><td rowspan="1" colspan="1">C75—C74—H74</td><td rowspan="1" colspan="1">119.8</td></tr><tr><td rowspan="1" colspan="1">C28—C29—C24</td><td rowspan="1" colspan="1">117.5 (3)</td><td rowspan="1" colspan="1">C76—C75—C74</td><td rowspan="1" colspan="1">120.2 (4)</td></tr><tr><td rowspan="1" colspan="1">C28—C29—C30</td><td rowspan="1" colspan="1">123.0 (3)</td><td rowspan="1" colspan="1">C76—C75—H75</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">C24—C29—C30</td><td rowspan="1" colspan="1">119.4 (3)</td><td rowspan="1" colspan="1">C74—C75—H75</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">C21—C30—C29</td><td rowspan="1" colspan="1">117.1 (3)</td><td rowspan="1" colspan="1">C75—C76—C77</td><td rowspan="1" colspan="1">121.6 (4)</td></tr><tr><td rowspan="1" colspan="1">C21—C30—C31</td><td rowspan="1" colspan="1">119.6 (3)</td><td rowspan="1" colspan="1">C75—C76—H76</td><td rowspan="1" colspan="1">119.2</td></tr><tr><td rowspan="1" colspan="1">C29—C30—C31</td><td rowspan="1" colspan="1">123.1 (3)</td><td rowspan="1" colspan="1">C77—C76—H76</td><td rowspan="1" colspan="1">119.2</td></tr><tr><td rowspan="1" colspan="1">C40—C31—C32</td><td rowspan="1" colspan="1">116.8 (3)</td><td rowspan="1" colspan="1">C78—C77—C76</td><td rowspan="1" colspan="1">121.6 (4)</td></tr><tr><td rowspan="1" colspan="1">C40—C31—C30</td><td rowspan="1" colspan="1">119.8 (3)</td><td rowspan="1" colspan="1">C78—C77—C72</td><td rowspan="1" colspan="1">120.1 (3)</td></tr><tr><td rowspan="1" colspan="1">C32—C31—C30</td><td rowspan="1" colspan="1">123.3 (3)</td><td rowspan="1" colspan="1">C76—C77—C72</td><td rowspan="1" colspan="1">118.3 (4)</td></tr><tr><td rowspan="1" colspan="1">C33—C32—C37</td><td rowspan="1" colspan="1">117.5 (3)</td><td rowspan="1" colspan="1">C79—C78—C77</td><td rowspan="1" colspan="1">121.0 (3)</td></tr><tr><td rowspan="1" colspan="1">C33—C32—C31</td><td rowspan="1" colspan="1">122.7 (3)</td><td rowspan="1" colspan="1">C79—C78—H78</td><td rowspan="1" colspan="1">119.5</td></tr><tr><td rowspan="1" colspan="1">C37—C32—C31</td><td rowspan="1" colspan="1">119.7 (3)</td><td rowspan="1" colspan="1">C77—C78—H78</td><td rowspan="1" colspan="1">119.5</td></tr><tr><td rowspan="1" colspan="1">C34—C33—C32</td><td rowspan="1" colspan="1">120.9 (4)</td><td rowspan="1" colspan="1">C78—C79—C80</td><td rowspan="1" colspan="1">118.6 (3)</td></tr><tr><td rowspan="1" colspan="1">C34—C33—H33</td><td rowspan="1" colspan="1">119.6</td><td rowspan="1" colspan="1">C78—C79—H79</td><td rowspan="1" colspan="1">120.7</td></tr><tr><td rowspan="1" colspan="1">C32—C33—H33</td><td rowspan="1" colspan="1">119.6</td><td rowspan="1" colspan="1">C80—C79—H79</td><td rowspan="1" colspan="1">120.7</td></tr><tr><td rowspan="1" colspan="1">C33—C34—C35</td><td rowspan="1" colspan="1">120.8 (4)</td><td rowspan="1" colspan="1">C71—C80—C79</td><td rowspan="1" colspan="1">123.8 (3)</td></tr><tr><td rowspan="1" colspan="1">C33—C34—H34</td><td rowspan="1" colspan="1">119.6</td><td rowspan="1" colspan="1">C71—C80—O14</td><td rowspan="1" colspan="1">119.5 (3)</td></tr><tr><td rowspan="1" colspan="1">C35—C34—H34</td><td rowspan="1" colspan="1">119.6</td><td rowspan="1" colspan="1">C79—C80—O14</td><td rowspan="1" colspan="1">116.7 (3)</td></tr><tr><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O3—P1—O1—C1</td><td rowspan="1" colspan="1">−165.3 (2)</td><td rowspan="1" colspan="1">C31—C32—C37—C36</td><td rowspan="1" colspan="1">−179.3 (3)</td></tr><tr><td rowspan="1" colspan="1">O4—P1—O1—C1</td><td rowspan="1" colspan="1">65.9 (3)</td><td rowspan="1" colspan="1">C36—C37—C38—C39</td><td rowspan="1" colspan="1">177.0 (4)</td></tr><tr><td rowspan="1" colspan="1">O2—P1—O1—C1</td><td rowspan="1" colspan="1">−41.9 (3)</td><td rowspan="1" colspan="1">C32—C37—C38—C39</td><td rowspan="1" colspan="1">−0.7 (6)</td></tr><tr><td rowspan="1" colspan="1">O3—P1—O2—C20</td><td rowspan="1" colspan="1">68.8 (3)</td><td rowspan="1" colspan="1">C37—C38—C39—C40</td><td rowspan="1" colspan="1">1.1 (6)</td></tr><tr><td rowspan="1" colspan="1">O4—P1—O2—C20</td><td rowspan="1" colspan="1">−164.0 (2)</td><td rowspan="1" colspan="1">C32—C31—C40—C39</td><td rowspan="1" colspan="1">−3.3 (5)</td></tr><tr><td rowspan="1" colspan="1">O1—P1—O2—C20</td><td rowspan="1" colspan="1">−49.1 (2)</td><td rowspan="1" colspan="1">C30—C31—C40—C39</td><td rowspan="1" colspan="1">179.2 (3)</td></tr><tr><td rowspan="1" colspan="1">O7—P2—O5—C21</td><td rowspan="1" colspan="1">−71.7 (3)</td><td rowspan="1" colspan="1">C32—C31—C40—O6</td><td rowspan="1" colspan="1">176.4 (3)</td></tr><tr><td rowspan="1" colspan="1">O8—P2—O5—C21</td><td rowspan="1" colspan="1">161.9 (2)</td><td rowspan="1" colspan="1">C30—C31—C40—O6</td><td rowspan="1" colspan="1">−1.1 (5)</td></tr><tr><td rowspan="1" colspan="1">O6—P2—O5—C21</td><td rowspan="1" colspan="1">46.5 (3)</td><td rowspan="1" colspan="1">C38—C39—C40—C31</td><td rowspan="1" colspan="1">1.1 (6)</td></tr><tr><td rowspan="1" colspan="1">O7—P2—O6—C40</td><td rowspan="1" colspan="1">166.8 (2)</td><td rowspan="1" colspan="1">C38—C39—C40—O6</td><td rowspan="1" colspan="1">−178.7 (3)</td></tr><tr><td rowspan="1" colspan="1">O8—P2—O6—C40</td><td rowspan="1" colspan="1">−63.8 (3)</td><td rowspan="1" colspan="1">P2—O6—C40—C31</td><td rowspan="1" colspan="1">−73.1 (4)</td></tr><tr><td rowspan="1" colspan="1">O5—P2—O6—C40</td><td rowspan="1" colspan="1">44.2 (3)</td><td rowspan="1" colspan="1">P2—O6—C40—C39</td><td rowspan="1" colspan="1">106.7 (3)</td></tr><tr><td rowspan="1" colspan="1">O12—P3—O9—C41</td><td rowspan="1" colspan="1">76.8 (3)</td><td rowspan="1" colspan="1">P3—O9—C41—C50</td><td rowspan="1" colspan="1">72.1 (4)</td></tr><tr><td rowspan="1" colspan="1">O11—P3—O9—C41</td><td rowspan="1" colspan="1">−154.4 (2)</td><td rowspan="1" colspan="1">P3—O9—C41—C42</td><td rowspan="1" colspan="1">−108.2 (3)</td></tr><tr><td rowspan="1" colspan="1">O10—P3—O9—C41</td><td rowspan="1" colspan="1">−43.3 (3)</td><td rowspan="1" colspan="1">C50—C41—C42—C43</td><td rowspan="1" colspan="1">−0.4 (6)</td></tr><tr><td rowspan="1" colspan="1">O12—P3—O10—C60</td><td rowspan="1" colspan="1">−171.3 (3)</td><td rowspan="1" colspan="1">O9—C41—C42—C43</td><td rowspan="1" colspan="1">180.0 (3)</td></tr><tr><td rowspan="1" colspan="1">O11—P3—O10—C60</td><td rowspan="1" colspan="1">61.8 (3)</td><td rowspan="1" colspan="1">C41—C42—C43—C44</td><td rowspan="1" colspan="1">−2.2 (6)</td></tr><tr><td rowspan="1" colspan="1">O9—P3—O10—C60</td><td rowspan="1" colspan="1">−47.6 (3)</td><td rowspan="1" colspan="1">C42—C43—C44—C45</td><td rowspan="1" colspan="1">−177.3 (4)</td></tr><tr><td rowspan="1" colspan="1">O15—P4—O13—C61</td><td rowspan="1" colspan="1">171.0 (2)</td><td rowspan="1" colspan="1">C42—C43—C44—C49</td><td rowspan="1" colspan="1">1.4 (6)</td></tr><tr><td rowspan="1" colspan="1">O16—P4—O13—C61</td><td rowspan="1" colspan="1">−59.8 (3)</td><td rowspan="1" colspan="1">C43—C44—C45—C46</td><td rowspan="1" colspan="1">177.9 (4)</td></tr><tr><td rowspan="1" colspan="1">O14—P4—O13—C61</td><td rowspan="1" colspan="1">48.5 (3)</td><td rowspan="1" colspan="1">C49—C44—C45—C46</td><td rowspan="1" colspan="1">−0.9 (6)</td></tr><tr><td rowspan="1" colspan="1">O15—P4—O14—C80</td><td rowspan="1" colspan="1">−75.0 (3)</td><td rowspan="1" colspan="1">C44—C45—C46—C47</td><td rowspan="1" colspan="1">−1.2 (6)</td></tr><tr><td rowspan="1" colspan="1">O16—P4—O14—C80</td><td rowspan="1" colspan="1">157.0 (2)</td><td rowspan="1" colspan="1">C45—C46—C47—C48</td><td rowspan="1" colspan="1">1.9 (6)</td></tr><tr><td rowspan="1" colspan="1">O13—P4—O14—C80</td><td rowspan="1" colspan="1">42.8 (3)</td><td rowspan="1" colspan="1">C46—C47—C48—C49</td><td rowspan="1" colspan="1">−0.4 (6)</td></tr><tr><td rowspan="1" colspan="1">P1—O1—C1—C10</td><td rowspan="1" colspan="1">73.7 (4)</td><td rowspan="1" colspan="1">C47—C48—C49—C44</td><td rowspan="1" colspan="1">−1.6 (5)</td></tr><tr><td rowspan="1" colspan="1">P1—O1—C1—C2</td><td rowspan="1" colspan="1">−107.5 (3)</td><td rowspan="1" colspan="1">C47—C48—C49—C50</td><td rowspan="1" colspan="1">−179.8 (3)</td></tr><tr><td rowspan="1" colspan="1">C10—C1—C2—C3</td><td rowspan="1" colspan="1">−2.1 (6)</td><td rowspan="1" colspan="1">C43—C44—C49—C48</td><td rowspan="1" colspan="1">−176.5 (3)</td></tr><tr><td rowspan="1" colspan="1">O1—C1—C2—C3</td><td rowspan="1" colspan="1">179.2 (3)</td><td rowspan="1" colspan="1">C45—C44—C49—C48</td><td rowspan="1" colspan="1">2.2 (5)</td></tr><tr><td rowspan="1" colspan="1">C1—C2—C3—C4</td><td rowspan="1" colspan="1">−0.7 (6)</td><td rowspan="1" colspan="1">C43—C44—C49—C50</td><td rowspan="1" colspan="1">1.8 (5)</td></tr><tr><td rowspan="1" colspan="1">C2—C3—C4—C5</td><td rowspan="1" colspan="1">−177.1 (4)</td><td rowspan="1" colspan="1">C45—C44—C49—C50</td><td rowspan="1" colspan="1">−179.5 (3)</td></tr><tr><td rowspan="1" colspan="1">C2—C3—C4—C9</td><td rowspan="1" colspan="1">1.7 (6)</td><td rowspan="1" colspan="1">C42—C41—C50—C49</td><td rowspan="1" colspan="1">3.5 (6)</td></tr><tr><td rowspan="1" colspan="1">C3—C4—C5—C6</td><td rowspan="1" colspan="1">179.1 (4)</td><td rowspan="1" colspan="1">O9—C41—C50—C49</td><td rowspan="1" colspan="1">−176.9 (3)</td></tr><tr><td rowspan="1" colspan="1">C9—C4—C5—C6</td><td rowspan="1" colspan="1">0.3 (6)</td><td rowspan="1" colspan="1">C42—C41—C50—C51</td><td rowspan="1" colspan="1">−178.8 (3)</td></tr><tr><td rowspan="1" colspan="1">C4—C5—C6—C7</td><td rowspan="1" colspan="1">−0.5 (6)</td><td rowspan="1" colspan="1">O9—C41—C50—C51</td><td rowspan="1" colspan="1">0.8 (5)</td></tr><tr><td rowspan="1" colspan="1">C5—C6—C7—C8</td><td rowspan="1" colspan="1">0.0 (6)</td><td rowspan="1" colspan="1">C48—C49—C50—C41</td><td rowspan="1" colspan="1">174.1 (3)</td></tr><tr><td rowspan="1" colspan="1">C6—C7—C8—C9</td><td rowspan="1" colspan="1">0.6 (6)</td><td rowspan="1" colspan="1">C44—C49—C50—C41</td><td rowspan="1" colspan="1">−4.1 (5)</td></tr><tr><td rowspan="1" colspan="1">C7—C8—C9—C4</td><td rowspan="1" colspan="1">−0.7 (5)</td><td rowspan="1" colspan="1">C48—C49—C50—C51</td><td rowspan="1" colspan="1">−3.4 (5)</td></tr><tr><td rowspan="1" colspan="1">C7—C8—C9—C10</td><td rowspan="1" colspan="1">−179.1 (3)</td><td rowspan="1" colspan="1">C44—C49—C50—C51</td><td rowspan="1" colspan="1">178.3 (3)</td></tr><tr><td rowspan="1" colspan="1">C3—C4—C9—C8</td><td rowspan="1" colspan="1">−178.6 (3)</td><td rowspan="1" colspan="1">C41—C50—C51—C60</td><td rowspan="1" colspan="1">−51.4 (5)</td></tr><tr><td rowspan="1" colspan="1">C5—C4—C9—C8</td><td rowspan="1" colspan="1">0.2 (5)</td><td rowspan="1" colspan="1">C49—C50—C51—C60</td><td rowspan="1" colspan="1">126.1 (4)</td></tr><tr><td rowspan="1" colspan="1">C3—C4—C9—C10</td><td rowspan="1" colspan="1">−0.1 (5)</td><td rowspan="1" colspan="1">C41—C50—C51—C52</td><td rowspan="1" colspan="1">122.8 (4)</td></tr><tr><td rowspan="1" colspan="1">C5—C4—C9—C10</td><td rowspan="1" colspan="1">178.7 (3)</td><td rowspan="1" colspan="1">C49—C50—C51—C52</td><td rowspan="1" colspan="1">−59.7 (5)</td></tr><tr><td rowspan="1" colspan="1">C2—C1—C10—C9</td><td rowspan="1" colspan="1">3.6 (5)</td><td rowspan="1" colspan="1">C60—C51—C52—C53</td><td rowspan="1" colspan="1">171.2 (3)</td></tr><tr><td rowspan="1" colspan="1">O1—C1—C10—C9</td><td rowspan="1" colspan="1">−177.7 (3)</td><td rowspan="1" colspan="1">C50—C51—C52—C53</td><td rowspan="1" colspan="1">−3.2 (5)</td></tr><tr><td rowspan="1" colspan="1">C2—C1—C10—C11</td><td rowspan="1" colspan="1">−179.7 (3)</td><td rowspan="1" colspan="1">C60—C51—C52—C57</td><td rowspan="1" colspan="1">−5.5 (5)</td></tr><tr><td rowspan="1" colspan="1">O1—C1—C10—C11</td><td rowspan="1" colspan="1">−1.0 (5)</td><td rowspan="1" colspan="1">C50—C51—C52—C57</td><td rowspan="1" colspan="1">−179.9 (3)</td></tr><tr><td rowspan="1" colspan="1">C8—C9—C10—C1</td><td rowspan="1" colspan="1">176.0 (3)</td><td rowspan="1" colspan="1">C57—C52—C53—C54</td><td rowspan="1" colspan="1">−0.8 (5)</td></tr><tr><td rowspan="1" colspan="1">C4—C9—C10—C1</td><td rowspan="1" colspan="1">−2.4 (5)</td><td rowspan="1" colspan="1">C51—C52—C53—C54</td><td rowspan="1" colspan="1">−177.6 (3)</td></tr><tr><td rowspan="1" colspan="1">C8—C9—C10—C11</td><td rowspan="1" colspan="1">−0.6 (5)</td><td rowspan="1" colspan="1">C52—C53—C54—C55</td><td rowspan="1" colspan="1">−1.3 (6)</td></tr><tr><td rowspan="1" colspan="1">C4—C9—C10—C11</td><td rowspan="1" colspan="1">−178.9 (3)</td><td rowspan="1" colspan="1">C53—C54—C55—C56</td><td rowspan="1" colspan="1">1.8 (6)</td></tr><tr><td rowspan="1" colspan="1">C1—C10—C11—C20</td><td rowspan="1" colspan="1">−52.8 (5)</td><td rowspan="1" colspan="1">C54—C55—C56—C57</td><td rowspan="1" colspan="1">−0.3 (6)</td></tr><tr><td rowspan="1" colspan="1">C9—C10—C11—C20</td><td rowspan="1" colspan="1">123.7 (4)</td><td rowspan="1" colspan="1">C55—C56—C57—C58</td><td rowspan="1" colspan="1">175.0 (4)</td></tr><tr><td rowspan="1" colspan="1">C1—C10—C11—C12</td><td rowspan="1" colspan="1">121.6 (4)</td><td rowspan="1" colspan="1">C55—C56—C57—C52</td><td rowspan="1" colspan="1">−1.8 (6)</td></tr><tr><td rowspan="1" colspan="1">C9—C10—C11—C12</td><td rowspan="1" colspan="1">−61.9 (5)</td><td rowspan="1" colspan="1">C53—C52—C57—C58</td><td rowspan="1" colspan="1">−174.5 (3)</td></tr><tr><td rowspan="1" colspan="1">C20—C11—C12—C13</td><td rowspan="1" colspan="1">171.2 (3)</td><td rowspan="1" colspan="1">C51—C52—C57—C58</td><td rowspan="1" colspan="1">2.3 (5)</td></tr><tr><td rowspan="1" colspan="1">C10—C11—C12—C13</td><td rowspan="1" colspan="1">−3.3 (5)</td><td rowspan="1" colspan="1">C53—C52—C57—C56</td><td rowspan="1" colspan="1">2.3 (5)</td></tr><tr><td rowspan="1" colspan="1">C20—C11—C12—C17</td><td rowspan="1" colspan="1">−4.4 (5)</td><td rowspan="1" colspan="1">C51—C52—C57—C56</td><td rowspan="1" colspan="1">179.2 (3)</td></tr><tr><td rowspan="1" colspan="1">C10—C11—C12—C17</td><td rowspan="1" colspan="1">−179.0 (3)</td><td rowspan="1" colspan="1">C56—C57—C58—C59</td><td rowspan="1" colspan="1">−175.1 (3)</td></tr><tr><td rowspan="1" colspan="1">C17—C12—C13—C14</td><td rowspan="1" colspan="1">−0.8 (5)</td><td rowspan="1" colspan="1">C52—C57—C58—C59</td><td rowspan="1" colspan="1">1.6 (5)</td></tr><tr><td rowspan="1" colspan="1">C11—C12—C13—C14</td><td rowspan="1" colspan="1">−176.5 (3)</td><td rowspan="1" colspan="1">C57—C58—C59—C60</td><td rowspan="1" colspan="1">−2.1 (5)</td></tr><tr><td rowspan="1" colspan="1">C12—C13—C14—C15</td><td rowspan="1" colspan="1">−0.2 (6)</td><td rowspan="1" colspan="1">C52—C51—C60—C59</td><td rowspan="1" colspan="1">5.3 (5)</td></tr><tr><td rowspan="1" colspan="1">C13—C14—C15—C16</td><td rowspan="1" colspan="1">0.9 (6)</td><td rowspan="1" colspan="1">C50—C51—C60—C59</td><td rowspan="1" colspan="1">179.9 (3)</td></tr><tr><td rowspan="1" colspan="1">C14—C15—C16—C17</td><td rowspan="1" colspan="1">−0.7 (6)</td><td rowspan="1" colspan="1">C52—C51—C60—O10</td><td rowspan="1" colspan="1">−174.4 (3)</td></tr><tr><td rowspan="1" colspan="1">C15—C16—C17—C18</td><td rowspan="1" colspan="1">176.7 (4)</td><td rowspan="1" colspan="1">C50—C51—C60—O10</td><td rowspan="1" colspan="1">0.1 (5)</td></tr><tr><td rowspan="1" colspan="1">C15—C16—C17—C12</td><td rowspan="1" colspan="1">−0.3 (6)</td><td rowspan="1" colspan="1">C58—C59—C60—C51</td><td rowspan="1" colspan="1">−1.5 (5)</td></tr><tr><td rowspan="1" colspan="1">C13—C12—C17—C18</td><td rowspan="1" colspan="1">−176.1 (3)</td><td rowspan="1" colspan="1">C58—C59—C60—O10</td><td rowspan="1" colspan="1">178.2 (3)</td></tr><tr><td rowspan="1" colspan="1">C11—C12—C17—C18</td><td rowspan="1" colspan="1">−0.2 (5)</td><td rowspan="1" colspan="1">P3—O10—C60—C51</td><td rowspan="1" colspan="1">74.6 (3)</td></tr><tr><td rowspan="1" colspan="1">C13—C12—C17—C16</td><td rowspan="1" colspan="1">1.0 (5)</td><td rowspan="1" colspan="1">P3—O10—C60—C59</td><td rowspan="1" colspan="1">−105.1 (3)</td></tr><tr><td rowspan="1" colspan="1">C11—C12—C17—C16</td><td rowspan="1" colspan="1">176.9 (3)</td><td rowspan="1" colspan="1">P4—O13—C61—C70</td><td rowspan="1" colspan="1">−75.9 (4)</td></tr><tr><td rowspan="1" colspan="1">C16—C17—C18—C19</td><td rowspan="1" colspan="1">−173.7 (4)</td><td rowspan="1" colspan="1">P4—O13—C61—C62</td><td rowspan="1" colspan="1">102.5 (3)</td></tr><tr><td rowspan="1" colspan="1">C12—C17—C18—C19</td><td rowspan="1" colspan="1">3.3 (6)</td><td rowspan="1" colspan="1">C70—C61—C62—C63</td><td rowspan="1" colspan="1">3.2 (6)</td></tr><tr><td rowspan="1" colspan="1">C17—C18—C19—C20</td><td rowspan="1" colspan="1">−1.7 (6)</td><td rowspan="1" colspan="1">O13—C61—C62—C63</td><td rowspan="1" colspan="1">−175.1 (3)</td></tr><tr><td rowspan="1" colspan="1">C12—C11—C20—C19</td><td rowspan="1" colspan="1">6.4 (5)</td><td rowspan="1" colspan="1">C61—C62—C63—C64</td><td rowspan="1" colspan="1">0.2 (6)</td></tr><tr><td rowspan="1" colspan="1">C10—C11—C20—C19</td><td rowspan="1" colspan="1">−179.0 (3)</td><td rowspan="1" colspan="1">C62—C63—C64—C69</td><td rowspan="1" colspan="1">−1.9 (6)</td></tr><tr><td rowspan="1" colspan="1">C12—C11—C20—O2</td><td rowspan="1" colspan="1">−172.6 (3)</td><td rowspan="1" colspan="1">C62—C63—C64—C65</td><td rowspan="1" colspan="1">176.1 (4)</td></tr><tr><td rowspan="1" colspan="1">C10—C11—C20—O2</td><td rowspan="1" colspan="1">2.0 (5)</td><td rowspan="1" colspan="1">C63—C64—C65—C66</td><td rowspan="1" colspan="1">−177.9 (4)</td></tr><tr><td rowspan="1" colspan="1">C18—C19—C20—C11</td><td rowspan="1" colspan="1">−3.4 (6)</td><td rowspan="1" colspan="1">C69—C64—C65—C66</td><td rowspan="1" colspan="1">0.1 (6)</td></tr><tr><td rowspan="1" colspan="1">C18—C19—C20—O2</td><td rowspan="1" colspan="1">175.6 (3)</td><td rowspan="1" colspan="1">C64—C65—C66—C67</td><td rowspan="1" colspan="1">0.3 (6)</td></tr><tr><td rowspan="1" colspan="1">P1—O2—C20—C11</td><td rowspan="1" colspan="1">74.7 (3)</td><td rowspan="1" colspan="1">C65—C66—C67—C68</td><td rowspan="1" colspan="1">0.0 (6)</td></tr><tr><td rowspan="1" colspan="1">P1—O2—C20—C19</td><td rowspan="1" colspan="1">−104.3 (3)</td><td rowspan="1" colspan="1">C66—C67—C68—C69</td><td rowspan="1" colspan="1">−0.7 (6)</td></tr><tr><td rowspan="1" colspan="1">P2—O5—C21—C30</td><td rowspan="1" colspan="1">−74.2 (3)</td><td rowspan="1" colspan="1">C67—C68—C69—C64</td><td rowspan="1" colspan="1">1.0 (5)</td></tr><tr><td rowspan="1" colspan="1">P2—O5—C21—C22</td><td rowspan="1" colspan="1">105.9 (3)</td><td rowspan="1" colspan="1">C67—C68—C69—C70</td><td rowspan="1" colspan="1">177.6 (3)</td></tr><tr><td rowspan="1" colspan="1">C30—C21—C22—C23</td><td rowspan="1" colspan="1">2.2 (6)</td><td rowspan="1" colspan="1">C63—C64—C69—C68</td><td rowspan="1" colspan="1">177.3 (3)</td></tr><tr><td rowspan="1" colspan="1">O5—C21—C22—C23</td><td rowspan="1" colspan="1">−177.9 (3)</td><td rowspan="1" colspan="1">C65—C64—C69—C68</td><td rowspan="1" colspan="1">−0.8 (5)</td></tr><tr><td rowspan="1" colspan="1">C21—C22—C23—C24</td><td rowspan="1" colspan="1">2.4 (6)</td><td rowspan="1" colspan="1">C63—C64—C69—C70</td><td rowspan="1" colspan="1">0.6 (5)</td></tr><tr><td rowspan="1" colspan="1">C22—C23—C24—C25</td><td rowspan="1" colspan="1">175.7 (3)</td><td rowspan="1" colspan="1">C65—C64—C69—C70</td><td rowspan="1" colspan="1">−177.4 (3)</td></tr><tr><td rowspan="1" colspan="1">C22—C23—C24—C29</td><td rowspan="1" colspan="1">−2.9 (5)</td><td rowspan="1" colspan="1">C62—C61—C70—C69</td><td rowspan="1" colspan="1">−4.4 (5)</td></tr><tr><td rowspan="1" colspan="1">C23—C24—C25—C26</td><td rowspan="1" colspan="1">−176.6 (4)</td><td rowspan="1" colspan="1">O13—C61—C70—C69</td><td rowspan="1" colspan="1">173.9 (3)</td></tr><tr><td rowspan="1" colspan="1">C29—C24—C25—C26</td><td rowspan="1" colspan="1">2.0 (5)</td><td rowspan="1" colspan="1">C62—C61—C70—C71</td><td rowspan="1" colspan="1">−178.5 (3)</td></tr><tr><td rowspan="1" colspan="1">C24—C25—C26—C27</td><td rowspan="1" colspan="1">0.1 (6)</td><td rowspan="1" colspan="1">O13—C61—C70—C71</td><td rowspan="1" colspan="1">−0.2 (5)</td></tr><tr><td rowspan="1" colspan="1">C25—C26—C27—C28</td><td rowspan="1" colspan="1">−1.6 (6)</td><td rowspan="1" colspan="1">C68—C69—C70—C61</td><td rowspan="1" colspan="1">−174.1 (3)</td></tr><tr><td rowspan="1" colspan="1">C26—C27—C28—C29</td><td rowspan="1" colspan="1">0.9 (6)</td><td rowspan="1" colspan="1">C64—C69—C70—C61</td><td rowspan="1" colspan="1">2.4 (5)</td></tr><tr><td rowspan="1" colspan="1">C27—C28—C29—C24</td><td rowspan="1" colspan="1">1.1 (5)</td><td rowspan="1" colspan="1">C68—C69—C70—C71</td><td rowspan="1" colspan="1">−0.1 (5)</td></tr><tr><td rowspan="1" colspan="1">C27—C28—C29—C30</td><td rowspan="1" colspan="1">178.1 (3)</td><td rowspan="1" colspan="1">C64—C69—C70—C71</td><td rowspan="1" colspan="1">176.4 (3)</td></tr><tr><td rowspan="1" colspan="1">C25—C24—C29—C28</td><td rowspan="1" colspan="1">−2.5 (5)</td><td rowspan="1" colspan="1">C61—C70—C71—C80</td><td rowspan="1" colspan="1">52.1 (5)</td></tr><tr><td rowspan="1" colspan="1">C23—C24—C29—C28</td><td rowspan="1" colspan="1">176.1 (3)</td><td rowspan="1" colspan="1">C69—C70—C71—C80</td><td rowspan="1" colspan="1">−121.7 (4)</td></tr><tr><td rowspan="1" colspan="1">C25—C24—C29—C30</td><td rowspan="1" colspan="1">−179.7 (3)</td><td rowspan="1" colspan="1">C61—C70—C71—C72</td><td rowspan="1" colspan="1">−125.5 (4)</td></tr><tr><td rowspan="1" colspan="1">C23—C24—C29—C30</td><td rowspan="1" colspan="1">−1.0 (5)</td><td rowspan="1" colspan="1">C69—C70—C71—C72</td><td rowspan="1" colspan="1">60.7 (5)</td></tr><tr><td rowspan="1" colspan="1">C22—C21—C30—C29</td><td rowspan="1" colspan="1">−5.9 (5)</td><td rowspan="1" colspan="1">C80—C71—C72—C73</td><td rowspan="1" colspan="1">−173.5 (3)</td></tr><tr><td rowspan="1" colspan="1">O5—C21—C30—C29</td><td rowspan="1" colspan="1">174.1 (3)</td><td rowspan="1" colspan="1">C70—C71—C72—C73</td><td rowspan="1" colspan="1">4.0 (5)</td></tr><tr><td rowspan="1" colspan="1">C22—C21—C30—C31</td><td rowspan="1" colspan="1">179.1 (3)</td><td rowspan="1" colspan="1">C80—C71—C72—C77</td><td rowspan="1" colspan="1">4.5 (5)</td></tr><tr><td rowspan="1" colspan="1">O5—C21—C30—C31</td><td rowspan="1" colspan="1">−0.8 (5)</td><td rowspan="1" colspan="1">C70—C71—C72—C77</td><td rowspan="1" colspan="1">−177.9 (3)</td></tr><tr><td rowspan="1" colspan="1">C28—C29—C30—C21</td><td rowspan="1" colspan="1">−171.8 (3)</td><td rowspan="1" colspan="1">C77—C72—C73—C74</td><td rowspan="1" colspan="1">0.9 (5)</td></tr><tr><td rowspan="1" colspan="1">C24—C29—C30—C21</td><td rowspan="1" colspan="1">5.2 (5)</td><td rowspan="1" colspan="1">C71—C72—C73—C74</td><td rowspan="1" colspan="1">178.9 (3)</td></tr><tr><td rowspan="1" colspan="1">C28—C29—C30—C31</td><td rowspan="1" colspan="1">3.0 (5)</td><td rowspan="1" colspan="1">C72—C73—C74—C75</td><td rowspan="1" colspan="1">0.1 (6)</td></tr><tr><td rowspan="1" colspan="1">C24—C29—C30—C31</td><td rowspan="1" colspan="1">179.9 (3)</td><td rowspan="1" colspan="1">C73—C74—C75—C76</td><td rowspan="1" colspan="1">−0.6 (6)</td></tr><tr><td rowspan="1" colspan="1">C21—C30—C31—C40</td><td rowspan="1" colspan="1">52.2 (5)</td><td rowspan="1" colspan="1">C74—C75—C76—C77</td><td rowspan="1" colspan="1">0.0 (6)</td></tr><tr><td rowspan="1" colspan="1">C29—C30—C31—C40</td><td rowspan="1" colspan="1">−122.4 (4)</td><td rowspan="1" colspan="1">C75—C76—C77—C78</td><td rowspan="1" colspan="1">−177.1 (4)</td></tr><tr><td rowspan="1" colspan="1">C21—C30—C31—C32</td><td rowspan="1" colspan="1">−125.1 (4)</td><td rowspan="1" colspan="1">C75—C76—C77—C72</td><td rowspan="1" colspan="1">1.0 (6)</td></tr><tr><td rowspan="1" colspan="1">C29—C30—C31—C32</td><td rowspan="1" colspan="1">60.3 (5)</td><td rowspan="1" colspan="1">C73—C72—C77—C78</td><td rowspan="1" colspan="1">176.8 (3)</td></tr><tr><td rowspan="1" colspan="1">C40—C31—C32—C33</td><td rowspan="1" colspan="1">−174.1 (3)</td><td rowspan="1" colspan="1">C71—C72—C77—C78</td><td rowspan="1" colspan="1">−1.4 (5)</td></tr><tr><td rowspan="1" colspan="1">C30—C31—C32—C33</td><td rowspan="1" colspan="1">3.3 (5)</td><td rowspan="1" colspan="1">C73—C72—C77—C76</td><td rowspan="1" colspan="1">−1.4 (5)</td></tr><tr><td rowspan="1" colspan="1">C40—C31—C32—C37</td><td rowspan="1" colspan="1">3.5 (5)</td><td rowspan="1" colspan="1">C71—C72—C77—C76</td><td rowspan="1" colspan="1">−179.6 (3)</td></tr><tr><td rowspan="1" colspan="1">C30—C31—C32—C37</td><td rowspan="1" colspan="1">−179.1 (3)</td><td rowspan="1" colspan="1">C76—C77—C78—C79</td><td rowspan="1" colspan="1">176.8 (4)</td></tr><tr><td rowspan="1" colspan="1">C37—C32—C33—C34</td><td rowspan="1" colspan="1">1.8 (5)</td><td rowspan="1" colspan="1">C72—C77—C78—C79</td><td rowspan="1" colspan="1">−1.3 (6)</td></tr><tr><td rowspan="1" colspan="1">C31—C32—C33—C34</td><td rowspan="1" colspan="1">179.4 (3)</td><td rowspan="1" colspan="1">C77—C78—C79—C80</td><td rowspan="1" colspan="1">0.8 (6)</td></tr><tr><td rowspan="1" colspan="1">C32—C33—C34—C35</td><td rowspan="1" colspan="1">−0.4 (6)</td><td rowspan="1" colspan="1">C72—C71—C80—C79</td><td rowspan="1" colspan="1">−5.3 (5)</td></tr><tr><td rowspan="1" colspan="1">C33—C34—C35—C36</td><td rowspan="1" colspan="1">−1.2 (7)</td><td rowspan="1" colspan="1">C70—C71—C80—C79</td><td rowspan="1" colspan="1">177.0 (3)</td></tr><tr><td rowspan="1" colspan="1">C34—C35—C36—C37</td><td rowspan="1" colspan="1">1.3 (6)</td><td rowspan="1" colspan="1">C72—C71—C80—O14</td><td rowspan="1" colspan="1">176.8 (3)</td></tr><tr><td rowspan="1" colspan="1">C35—C36—C37—C38</td><td rowspan="1" colspan="1">−177.6 (4)</td><td rowspan="1" colspan="1">C70—C71—C80—O14</td><td rowspan="1" colspan="1">−0.8 (5)</td></tr><tr><td rowspan="1" colspan="1">C35—C36—C37—C32</td><td rowspan="1" colspan="1">0.1 (6)</td><td rowspan="1" colspan="1">C78—C79—C80—C71</td><td rowspan="1" colspan="1">2.7 (5)</td></tr><tr><td rowspan="1" colspan="1">C33—C32—C37—C38</td><td rowspan="1" colspan="1">176.2 (3)</td><td rowspan="1" colspan="1">C78—C79—C80—O14</td><td rowspan="1" colspan="1">−179.4 (3)</td></tr><tr><td rowspan="1" colspan="1">C31—C32—C37—C38</td><td rowspan="1" colspan="1">−1.6 (5)</td><td rowspan="1" colspan="1">P4—O14—C80—C71</td><td rowspan="1" colspan="1">−72.6 (4)</td></tr><tr><td rowspan="1" colspan="1">C33—C32—C37—C36</td><td rowspan="1" colspan="1">−1.6 (5)</td><td rowspan="1" colspan="1">P4—O14—C80—C79</td><td rowspan="1" colspan="1">109.4 (3)</td></tr></table></table-wrap></sec><sec id="tablewraphbondslong"><title>Hydrogen-bond geometry (Å, °)</title><table-wrap position="anchor" id="d1e8037"><table rules="all" frame="box" style="table-layout:fixed" summary=""><colgroup span="5"><col span="1"></col><col span="1"></col><col span="1"></col><col span="1"></col><col span="1"></col></colgroup><tr><td rowspan="1" colspan="1"><italic>D</italic>—H···<italic>A</italic></td><td rowspan="1" colspan="1"><italic>D</italic>—H</td><td rowspan="1" colspan="1">H···<italic>A</italic></td><td rowspan="1" colspan="1"><italic>D</italic>···<italic>A</italic></td><td rowspan="1" colspan="1"><italic>D</italic>—H···<italic>A</italic></td></tr><tr><td rowspan="1" colspan="1">O4—H1O···O7</td><td rowspan="1" colspan="1">0.82</td><td rowspan="1" colspan="1">1.78</td><td rowspan="1" colspan="1">2.475 (4)</td><td rowspan="1" colspan="1">141</td></tr><tr><td rowspan="1" colspan="1">O8—H2O···O3<sup>i</sup></td><td rowspan="1" colspan="1">0.82</td><td rowspan="1" colspan="1">1.77</td><td rowspan="1" colspan="1">2.450 (4)</td><td rowspan="1" colspan="1">139</td></tr><tr><td rowspan="1" colspan="1">O16—H4O···O12<sup>ii</sup></td><td rowspan="1" colspan="1">0.82</td><td rowspan="1" colspan="1">1.99</td><td rowspan="1" colspan="1">2.441 (4)</td><td rowspan="1" colspan="1">114</td></tr><tr><td rowspan="1" colspan="1">O11—H30···O15</td><td rowspan="1" colspan="1">0.82</td><td rowspan="1" colspan="1">1.71</td><td rowspan="1" colspan="1">2.477 (4)</td><td rowspan="1" colspan="1">154</td></tr><tr><td rowspan="1" colspan="1">C22—H22···O11<sup>iii</sup></td><td rowspan="1" colspan="1">0.93</td><td rowspan="1" colspan="1">2.51</td><td rowspan="1" colspan="1">3.435 (4)</td><td rowspan="1" colspan="1">174</td></tr><tr><td rowspan="1" colspan="1">C59—H59···O7<sup>iv</sup></td><td rowspan="1" colspan="1">0.93</td><td rowspan="1" colspan="1">2.56</td><td rowspan="1" colspan="1">3.478 (4)</td><td rowspan="1" colspan="1">167</td></tr><tr><td rowspan="1" colspan="1">C27—H27···Cg1</td><td rowspan="1" colspan="1">0.93</td><td rowspan="1" colspan="1">2.75</td><td rowspan="1" colspan="1">3.567 (5)</td><td rowspan="1" colspan="1">147</td></tr><tr><td rowspan="1" colspan="1">C54—H54···Cg2<sup>v</sup></td><td rowspan="1" colspan="1">0.93</td><td rowspan="1" colspan="1">2.77</td><td rowspan="1" colspan="1">3.535 (5)</td><td rowspan="1" colspan="1">140</td></tr></table></table-wrap><p>Symmetry codes: (i) −<italic>x</italic>, −<italic>y</italic>+1, −<italic>z</italic>; (ii) −<italic>x</italic>+2, −<italic>y</italic>+1, −<italic>z</italic>+1; (iii) <italic>x</italic>−1, <italic>y</italic>, <italic>z</italic>; (iv) <italic>x</italic>+1, <italic>y</italic>, <italic>z</italic>; (v) −<italic>x</italic>+1, −<italic>y</italic>+1, −<italic>z</italic>+1.</p></sec></app></app-group><ref-list><title>References</title><ref id="bb1"><mixed-citation publication-type="other">An, J., Wilson, J. M., An, Y. Z. & Wiemer, D. W. (1996). <italic>J. Org. Chem.</italic><bold>61</bold>, 4040–4045.</mixed-citation></ref><ref id="bb2"><mixed-citation publication-type="other">Arnold, W., Daly, J. J., Imhof, R. & Kyburz, E. (1983). <italic>Tetrahedron Lett.</italic><bold>24</bold>, 343–346.</mixed-citation></ref><ref id="bb3"><mixed-citation publication-type="other">Bernstein, J., Davis, R. E., Shimoni, L. & Chang, N. (1995). <italic>Angew. Chem. Int. Ed. Engl.</italic><bold>34</bold>, 1555–1573.</mixed-citation></ref><ref id="bb4"><mixed-citation publication-type="other">Bruker (2004). <italic>SMART</italic> (Version 5.628) and <italic>SAINT</italic> (Version 6.45a). Bruker AXS Inc., Madison, Wisconsin, USA.</mixed-citation></ref><ref id="bb5"><mixed-citation publication-type="other">Etter, M. C. & Baures, P. W. (1988). <italic>J. Am. Chem. Soc.</italic><bold>110</bold>, 639–640.</mixed-citation></ref><ref id="bb6"><mixed-citation publication-type="other">Farrugia, L. J. (1999). <italic>J. Appl. Cryst.</italic><bold>32</bold>, 837–838.</mixed-citation></ref><ref id="bb7"><mixed-citation publication-type="other">Fujii, I. & Hirayamma, N. (2002). <italic>Helv. Chim. Acta</italic>, <bold>85</bold>, 2946–2960.</mixed-citation></ref><ref id="bb8"><mixed-citation publication-type="other">Jacques, J., Collet, A. & Wilen, S. H. (1981). <italic>Enantiomers, Racemates and Resolutions</italic>, chs. 1–4. New York: John Wiley & Sons.</mixed-citation></ref><ref id="bb9"><mixed-citation publication-type="other">Sheldrick, G. M. (1996). <italic>SADABS</italic> University of Göttingen, Germany.</mixed-citation></ref><ref id="bb10"><mixed-citation publication-type="other">Sheldrick, G. M. (1997). <italic>SHELXL97</italic> University of Göttingen, Germany.</mixed-citation></ref><ref id="bb11"><mixed-citation publication-type="other">Spek, A. L. (2003). <italic>J. Appl. Cryst.</italic><bold>36</bold>, 7–13.</mixed-citation></ref><ref id="bb12"><mixed-citation publication-type="other">Watkin, D. M., Pearce, L. & Prout, C. K. (1993). <italic>CAMERON</italic> Chemical Crystallography Laboratory, University of Oxford, England.</mixed-citation></ref><ref id="bb13"><mixed-citation publication-type="other">Wilen, S. H., Qi, J. Z. & Williard, P. G. (1991). <italic>J. Org. Chem.</italic><bold>56</bold>, 485–487.</mixed-citation></ref></ref-list></back><floats-group><table-wrap id="table1" position="float"><label>Table 1</label><caption><title>Hydrogen-bond geometry (Å, °)</title><p><italic>Cg</italic>1 and <italic>Cg</italic>2 are the centroids of the C64–C69 and C12–C17 rings.</p></caption><table frame="hsides" rules="groups"><thead valign="bottom"><tr><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>—H⋯<italic>A</italic></th><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>—H</th><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom">H⋯<italic>A</italic></th><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>⋯<italic>A</italic></th><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>—H⋯<italic>A</italic></th></tr></thead><tbody valign="top"><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O4—H1O⋯O7</td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.82</td><td style="" rowspan="1" colspan="1" align="left" valign="top">1.78</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.475 (4)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">141</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O8—H2O⋯O3<sup>i</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.82</td><td style="" rowspan="1" colspan="1" align="left" valign="top">1.77</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.450 (4)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">139</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O16—H4O⋯O12<sup>ii</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.82</td><td style="" rowspan="1" colspan="1" align="left" valign="top">1.99</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.441 (4)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">114</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O11—H30⋯O15</td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.82</td><td style="" rowspan="1" colspan="1" align="left" valign="top">1.71</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.477 (4)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">154</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C22—H22⋯O11<sup>iii</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.93</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.51</td><td style="" rowspan="1" colspan="1" align="left" valign="top">3.435 (4)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">174</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C59—H59⋯O7<sup>iv</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.93</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.56</td><td style="" rowspan="1" colspan="1" align="left" valign="top">3.478 (4)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">167</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C27—H27⋯<italic>Cg</italic>1</td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.93</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.75</td><td style="" rowspan="1" colspan="1" align="left" valign="top">3.567 (5)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">147</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C54—H54⋯<italic>Cg</italic>2<sup>v</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.93</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.77</td><td style="" rowspan="1" colspan="1" align="left" valign="top">3.535 (5)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">140</td></tr></tbody></table><table-wrap-foot><p>Symmetry codes: (i) <inline-formula><inline-graphic xlink:href="e-64-0o256-efi2.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>; (ii) <inline-formula><inline-graphic xlink:href="e-64-0o256-efi3.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>; (iii) <inline-formula><inline-graphic xlink:href="e-64-0o256-efi4.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>; (iv) <inline-formula><inline-graphic xlink:href="e-64-0o256-efi5.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>.</p></table-wrap-foot></table-wrap></floats-group></pmc></record>Pour manipuler ce document sous Unix (Dilib)
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