Information card for entry 2218283

Structure parameters

• Common name: Friedelan-3β-ol-17β-carboxylic Acid
• Chemical name: 3β-Hydroxyfriedelan-17β-carboxylic acid
• Formula: C30 H50 O3
• Calculated formula: C30 H50 O3
• SMILES: C1C(CC[C@]2(CC[C@]3([C@@H]4CC[C@]5([C@@H]([C@@H](CC[C@@H]5[C@]4(CC[C@@]3([C@@H]12)C)C)O)C)C)C)C(=O)O)(C)C
• Title of publication: 3β-Hydroxyfriedelan-17β-carboxylic acid
• Authors of publication: Chen, Hai-Yan; Lin, Cui-Wu; Chen, Guang-Ying; Ou, Guang-Chuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o890
• a: 13.238 ± 0.003 Å
• b: 24.141 ± 0.005 Å
• c: 8.7349 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2791.5 ± 1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes