Information card for entry 2216606

Structure parameters

• Chemical name: (1<i>R</i>,4<i>R</i>,7<i>R</i>,8<i>R</i>,9<i>R</i>)-8-(Benzyloxy)-7- (benzyloxymethyl)-2,5,10-trioxatricyclo[5.2.1.0^4,8^]decan-9-ol
• Formula: C22 H24 O6
• Calculated formula: C22 H24 O6
• SMILES: O1[C@H]2OC[C@H]3OC[C@@]1([C@@]3(OCc1ccccc1)[C@H]2O)COCc1ccccc1
• Title of publication: (1<i>R</i>,4<i>R</i>,7<i>R</i>,8<i>R</i>,9<i>R</i>)-8-Benzyloxy-7-benzyloxymethyl-2,5,10-trioxatricyclo[5.2.1.0^4,8^]decan-9-ol
• Authors of publication: Sharma, Pawan K.; Nielsen, Poul; Bond, Andrew D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4537 - o4537
• a: 9.4559 ± 0.0003 Å
• b: 10.8048 ± 0.0004 Å
• c: 18.062 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1845.38 ± 0.11 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes