Information card for entry 2008323

Structure parameters

• Common name: Diosbulbin-B
• Formula: C19 H20 O6
• Calculated formula: C19 H20 O6
• SMILES: O1[C@@H]2C[C@@H]3[C@@H]([C@@H](C2)C1=O)[C@H]1OC(=O)[C@]2(O[C@H](C[C@@]32C)c2ccoc2)C1
• Title of publication: Diosbulbin B, a constituent of <i>Dioscorea pentaphylla</i>
• Authors of publication: Singh, Amarjit; Parmar, Virinder S.; Errington, William; Howarth, Oliver W.; Lawrie, Stephen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 559 - 561
• a: 8.915 ± 0.004 Å
• b: 10.623 ± 0.004 Å
• c: 17.243 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1633 ± 1.1 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 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: 0.064
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes