Information card for entry 2311436

Structure parameters

• Chemical name: 9α,11α-Epoxy-5α-cholest-7-ene-3β,5,6α-triol 3,6-diacetate
• Formula: C31 H48 O6
• Calculated formula: C31 H48 O6
• Title of publication: Crystal structure of an ep-oxy-sterol: 9α,11α-ep-oxy-5α-cholest-7-ene-3β,5,6α-triol 3,6-di-acetate.
• Authors of publication: Piccialli, Vincenzo; Tuzi, Angela; Centore, Roberto
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 11
• Pages of publication: 1603 - 1606
• a: 9.899 ± 0.0013 Å
• b: 10.103 ± 0.0016 Å
• c: 28.961 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2896.4 ± 0.8 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: 0.1117
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No