Information card for entry 2215567

Structure parameters

• Chemical name: (24<i>R</i>)-24-acetoxy-11<i>β</i>, 25-dihydroxy-16<i>β</i>,23<i>β</i>-epoxyprotost-13(17)-en-3-one
• Formula: C32 H50 O6
• Calculated formula: C32 H50 O6
• SMILES: O=C1CC[C@]2([C@H](C1(C)C)CC[C@]1([C@H]2[C@@H](O)CC2=C3[C@@H](O[C@@H](C[C@H]3C)[C@@H](OC(=O)C)C(O)(C)C)C[C@]12C)C)C
• Title of publication: Alisol F 24-acetate: (24<i>R</i>)-24-acetoxy-11<i>{β</i>},25-dihydroxy-16<i>{β</i>},23<i>{β</i>}-epoxyprotost-13(17)-en-3-one
• Authors of publication: Wang, Xiao-Bing; Kong, Ling-Yi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4110
• a: 6.525 ± 0.004 Å
• b: 15.885 ± 0.01 Å
• c: 14.401 ± 0.009 Å
• α: 90°
• β: 100.475 ± 0.01°
• γ: 90°
• Cell volume: 1467.8 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1179
• Residual factor for significantly intense reflections: 0.0892
• Weighted residual factors for significantly intense reflections: 0.2151
• Weighted residual factors for all reflections included in the refinement: 0.2357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes