Information card for entry 2009434

Structure parameters

• Chemical name: (22R)-22-methylchola-5,23-diene-3β-oxy-tert-butyldimethylsilane
• Formula: C31 H54 O Si
• Calculated formula: C31 H54 O Si
• SMILES: [C@H]1(CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3CC[C@@H]1[C@@H]([C@@H](C=C)C)C)C)O[Si](C)(C)C(C)(C)C
• Title of publication: (22<i>R</i>)-3β-<i>tert</i>-Butyldimethylsilyloxy-22-methylchola-5,23-diene
• Authors of publication: Uchida, Akira; Ohashi, Yuji; Arai, Masayuki; Nakamura, Eiichi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 2
• Pages of publication: 259 - 260
• a: 12.021 ± 0.001 Å
• b: 40.218 ± 0.005 Å
• c: 6.171 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2983.4 ± 0.7 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.108
• Goodness-of-fit parameter for significantly intense reflections: 0.723
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No