Information card for entry 2205996

Structure parameters

• Chemical name: 24-Methylenecholest-4-ene-3β,6β-diol
• Formula: C28 H46 O2
• Calculated formula: C28 H46 O2
• SMILES: O[C@@H]1C=C2[C@H](O)C[C@H]3[C@@H]4CC[C@@H]([C@]4(CC[C@@H]3[C@]2(CC1)C)C)[C@H](C)CCC(=C)C(C)C
• Title of publication: 24-Methylenecholest-4-ene-3β,6β-diol
• Authors of publication: Hui Lin; Shi-Hai Xu; Xiang-Chao Zeng; Xiao-Jian Liao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1959 - o1960
• a: 8.168 ± 0.003 Å
• b: 10.933 ± 0.003 Å
• c: 28.446 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2540.2 ± 1.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1019
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1777
• Weighted residual factors for all reflections included in the refinement: 0.2153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes