Information card for entry 2237926

Structure parameters

• Chemical name: 3β,6β-Diacetoxy-5,9α-dihydroxy-5α-cholest-7-en-11-one acetic acid 0.04-solvate
• Formula: C31.09 H48.18 O7.09
• Calculated formula: C31.0873 H48.131 O7.08733
• Title of publication: 3β,6β-Diacetoxy-5,9α-dihydroxy-5α-cholest-7-en-11-one acetic acid 0.04-solvate
• Authors of publication: Piccialli, Vincenzo; Oliviero, Giorgia; Borbone, Nicola; Centore, Roberto; Tuzi, Angela
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o879 - o880
• a: 10.242 ± 0.002 Å
• b: 28.556 ± 0.005 Å
• c: 30.214 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8837 ± 3 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: 0.1225
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes