Information card for entry 1503695

Structure parameters

• Formula: C31 H50 O4
• Calculated formula: C31 H50 O4
• SMILES: C1C[C@@H]([C@]([C@@H]2CC[C@@]3([C@@H]([C@@]12C)CC=C1[C@]3(CC[C@@]2([C@H]1C[C@@]1(C[C@H]2O[C@H]1OC)C)C)C)C)(C)CO)O
• Title of publication: 24-Hydroxyoleanane-type triterpenes from the aerial parts and roots of Oxytropis falcata.
• Authors of publication: Chen, Wen-Hao; Qi, Huan-Yang; Shi, Yan-Ping
• Journal of publication: Journal of natural products
• Year of publication: 2009
• Journal volume: 72
• Journal issue: 8
• Pages of publication: 1410 - 1413
• a: 12.3341 ± 0.001 Å
• b: 7.3877 ± 0.001 Å
• c: 30.799 ± 0.003 Å
• α: 90°
• β: 97.604 ± 0.002°
• γ: 90°
• Cell volume: 2781.7 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.374
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No