Information card for entry 1552568

Structure parameters

• Formula: C30 H48 O4
• Calculated formula: C30 H48 O4
• SMILES: O[C@H]1CC[C@@]23[C@H](C1(C)C)CC[C@@H]1[C@]2(CC[C@]2([C@@]1(C)[C@H](O)C[C@@H]2[C@H](C)CC/C=C(C(=O)O)\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: 7.3328 ± 0.0003 Å
• b: 16.9299 ± 0.0008 Å
• c: 21.8307 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2710.1 ± 0.2 ų
• Cell temperature: 295.72 ± 0.11 K
• Ambient diffraction temperature: 295.72 ± 0.11 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: 0.0544
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No