Information card for entry 1502843

Structure parameters

• Formula: C28 H40 O6
• Calculated formula: C28 H40 O6
• SMILES: O=C1C[C@H]2[C@]3([C@H](C1(C)C)C[C@H](O)[C@@H]1[C@H]3[C@@]2(O)C[C@]2([C@]1(C(=O)C[C@@H]2[C@@H](CCC(=O)OC)C)C)C)C
• Title of publication: Three new triterpenoids containing four-membered ring from the fruiting body of Ganoderma sinense.
• Authors of publication: Wang, Cui-Fang; Liu, Jie-Qing; Yan, Yu-Xin; Chen, Jian-Chao; Lu, Yang; Guo, Yong-Hui; Qiu, Ming-Hua
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 1656 - 1659
• a: 7.6814 ± 0.0001 Å
• b: 12.1284 ± 0.0001 Å
• c: 27.7022 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2580.82 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0432
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No