Information card for entry 1503696

Structure parameters

• Formula: C32 H52 O5 S
• Calculated formula: C32 H52 O5 S
• SMILES: C1CC(=O)[C@]([C@@H]2CC[C@@]3([C@@H]([C@@]12C)CC=C1[C@]3(CC[C@@]2([C@H]1C[C@@](CC2)(C(=O)O)C)C)C)C)(C)CO.CS(C)=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: 7.2899 ± 0.0004 Å
• b: 11.7817 ± 0.0006 Å
• c: 36.3289 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3120.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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 all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1753
• Weighted residual factors for all reflections included in the refinement: 0.1823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No