Information card for entry 2009526

Structure parameters

• Chemical name: (20R,23S,24R)-5α-dinosteran-29-ol
• Formula: C30 H54 O
• Calculated formula: C30 H53 O
• SMILES: OC[C@H]([C@@H](C(C)C)C)C[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CCC[C@H]2C)C
• Title of publication: A steroid derivative that crystallizes with three molecules in the asymmetric unit
• Authors of publication: Brock, Carolyn Pratt; Stoilov, Ivan; Watt, David S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 3
• Pages of publication: 434 - 438
• a: 6.6289 ± 0.0005 Å
• b: 12.5448 ± 0.0014 Å
• c: 49.81 ± 0.004 Å
• α: 90°
• β: 90.068 ± 0.006°
• γ: 90°
• Cell volume: 4142.1 ± 0.6 ų
• Cell temperature: 294 ± 1 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.068
• Goodness-of-fit parameter for significantly intense reflections: 2.62
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No