Information card for entry 2015905

Structure parameters

• Common name: α-epoxide
• Chemical name: 3β-acetoxy-9α,11-epoxy-5α-lanost-9(11)-en-7-one
• Formula: C32 H52 O4
• Calculated formula: C32 H52 O4
• SMILES: O([C@H]1CC[C@]2([C@H](C1(C)C)CC(=O)[C@@H]1[C@]32O[C@@H]3C[C@]2([C@]1(CC[C@@H]2[C@H](C)CCCC(C)C)C)C)C)C(=O)C
• Title of publication: The α- and β-epoxides of 3β-acetoxy-5α-lanost-9(11)-en-7-one
• Authors of publication: Parvez, Masood; Edwards, Oliver E.; Paryzek, Zdzisław
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o249 - o251
• a: 11.483 ± 0.004 Å
• b: 7.612 ± 0.003 Å
• c: 16.903 ± 0.006 Å
• α: 90°
• β: 95.79 ± 0.03°
• γ: 90°
• Cell volume: 1469.9 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.049
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes