Information card for entry 2225314

Structure parameters

• Common name: 5α-Dihydrovespertilin acetate
• Chemical name: (20<i>S</i>)-3β-acetoxy-16α-hydroxy-22,23-bisnor-5α,17β-cholano(22-16)lactone
• Formula: C24 H36 O4
• Calculated formula: C24 H36 O4
• Title of publication: 5α-Dihydrovespertilin acetate
• Authors of publication: Benn, Michael; Vohra, Kanwal Nain; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o598
• a: 6.4256 ± 0.0003 Å
• b: 9.6527 ± 0.0006 Å
• c: 34.953 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2167.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.057
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes