Information card for entry 2209800

Structure parameters

• Chemical name: 3β-Acetoxy-17,17-ethylenedioxy-15β,16β-methylene-5-androsten-7β-ol
• Formula: C24 H34 O5
• Calculated formula: C24 H34 O5
• SMILES: O([C@H]1CC[C@]2(C(=C[C@H](O)[C@@H]3[C@@H]2CC[C@]2([C@H]3[C@H]3[C@@H](C42OCCO4)C3)C)C1)C)C(=O)C
• Title of publication: 3β-Acetoxy-17,17-ethylenedioxy-15β,16β-methylene-5-androsten-7β-ol
• Authors of publication: Wei Zhou; Guang-Xiang Zhong; Wei-Xiao Hu; Chun-Nian Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3542 - o3543
• a: 10.049 ± 0.003 Å
• b: 11.55 ± 0.003 Å
• c: 18.149 ± 0.007 Å
• α: 90 ± 0.02°
• β: 90 ± 0.03°
• γ: 90 ± 0.02°
• Cell volume: 2106.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0929
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes