Information card for entry 2012261

Structure parameters

• Common name: ORG39097
• Chemical name: 4,4-dimethyl-22-phenyl-23,24-dinor-5α-cholane-8,14-dien-3β-ol
• Formula: C30 H42 O
• Calculated formula: C30 H42 O
• Title of publication: Conformational comparison of five follicular fluid meiosis-activating sterol-related active and inactive compounds
• Authors of publication: Boer, D. Roeland; Kooijman, Huub; Groen, Marinus; van der Louw, Jaap; Kelder, Jan; Kroon, Jan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: 1177 - 1181
• a: 23.785 ± 0.009 Å
• b: 13.61 ± 0.003 Å
• c: 19.08 ± 0.007 Å
• α: 90°
• β: 121.927 ± 0.012°
• γ: 90°
• Cell volume: 5242 ± 3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes