Information card for entry 2210117

Structure parameters

• Chemical name: Methyl 17,17-ethylenedioxy-7-oxo-15β,16β-methylene-5-androstene-3β-carboxylate
• Formula: C24 H32 O5
• Calculated formula: C24 H32 O5
• SMILES: O([C@H]1CC[C@]2(C(=CC(=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: Methyl 17,17-ethylenedioxy-7-oxo-15β,16β-methylene-5-androstene-3β-carboxylate
• Authors of publication: Wei Zhou; Wei-Xiao Hu; Chun-Nian Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o4132 - o4133
• a: 6.102 ± 0.0017 Å
• b: 14.45 ± 0.003 Å
• c: 23.763 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2095.3 ± 1 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: 0.1099
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes