Information card for entry 2232950

Structure parameters

• Chemical name: (20<i>S</i>*,24<i>S</i>*)-25-Hydroxy-20,24-epoxy-<i>A</i>-homo-4-oxadammaran- 3-one
• Formula: C30 H50 O4
• Calculated formula: C30 H50 O4
• SMILES: O=C1OC([C@@H]2CC[C@@]3([C@@H]([C@]2(CC1)C)CC[C@H]1[C@]3(CC[C@@H]1[C@]1(O[C@@H](CC1)C(O)(C)C)C)C)C)(C)C
• Title of publication: (20<i>S</i>*,24<i>S</i>*)-25-Hydroxy-20,24-epoxy-<i>A</i>-homo-4-oxadammaran-3-one (Chrysura) isolated from the leaves of <i>Walsura chrysogyne</i>
• Authors of publication: Mahmod, Ilya Iryani; Kwong, Huey Chong; Mohamed Tahir, Mohamed Ibrahim; Ismail, Intan Safinar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3296
• a: 6.9881 ± 0.0001 Å
• b: 11.0108 ± 0.0002 Å
• c: 34.9733 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2691.01 ± 0.08 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0919
• Residual factor for significantly intense reflections: 0.0917
• Weighted residual factors for significantly intense reflections: 0.2328
• Weighted residual factors for all reflections included in the refinement: 0.2328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes