Information card for entry 2218203

Structure parameters

• Common name: Eplerenone ethanol solvate
• Chemical name: 7α-(methoxycarbonyl)-3-oxo-9α,11-epoxy-17α-pregn-4-ene-21,17-carbolactone ethanol solvate
• Formula: C26 H36 O7
• Calculated formula: C26 H36 O7
• Title of publication: Eplerenone ethanol solvate
• Authors of publication: Yang, Qian; Ye, Wei-Dong; Yuan, Jian-Yong; Nie, Jing-Jing; Xu, Duan-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o829
• a: 8.3236 ± 0.0005 Å
• b: 12.8306 ± 0.0009 Å
• c: 23.3173 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2490.2 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.073
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes