Information card for entry 1552570

Structure parameters

• Formula: C30 H46 O5
• Calculated formula: C30 H46 O5
• SMILES: O=C1CC[C@@]23[C@H](C1(C)C)CC[C@@H]1[C@]2(CC[C@]2([C@]1([C@H](O)[C@H](O)[C@@H]2[C@H](C)CC/C=C(/C(=O)O)C)C)C)C3
• Title of publication: Highly Oxygenated Triterpenoids and Rare Tetraterpenoids from <i>Abies chensiensis</i> and Their Antibacterial Activity.
• Authors of publication: Wei, Wen-Jun; Song, Qiu-Yan; Ying, Jin-Chuan; Li, Hang-Ying; Ma, Kai-Liang; Li, Yida; Li, Ya; Gao, Kun
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 10
• Pages of publication: 2859 - 2869
• a: 6.86011 ± 0.00011 Å
• b: 12.7036 ± 0.0002 Å
• c: 31.2318 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2721.79 ± 0.08 ų
• Cell temperature: 295.53 ± 0.1 K
• Ambient diffraction temperature: 295.53 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0344
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No