Information card for entry 2011196

Structure parameters

• Chemical name: (24R)-cycloartane-24,25-diol-3-one
• Formula: C30 H50 O3
• Calculated formula: C30 H50 O3
• SMILES: O=C1CC[C@@]23[C@H](C1(C)C)CC[C@@H]1[C@]2(CC[C@]2([C@]1(CC[C@@H]2[C@H](C)CC[C@H](O)C(O)(C)C)C)C)C3
• Title of publication: (24<i>R</i>)-24,25-Dihydroxycycloartan-3-one
• Authors of publication: Bhattacharyya, Kinkini; Kar, Tanusree; Palmer, Rex A.; Potter, Brian S.; Inada, Akira
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 979 - 980
• a: 9.9534 ± 0.001 Å
• b: 10.53 ± 0.003 Å
• c: 13.837 ± 0.002 Å
• α: 90 ± 0.02°
• β: 110.942 ± 0.01°
• γ: 90 ± 0.02°
• Cell volume: 1354.4 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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 all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No