Information card for entry 1503694

Structure parameters

• Formula: C30 H48 O4
• Calculated formula: C30 H48 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]1O)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: 6.943 ± 0.0008 Å
• b: 7.2493 ± 0.0008 Å
• c: 15.2539 ± 0.0017 Å
• α: 81.411 ± 0.002°
• β: 80.394 ± 0.002°
• γ: 61.762 ± 0.002°
• Cell volume: 664.71 ± 0.13 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No