Information card for entry 1553385

Structure parameters

• Formula: C18 H26 O6
• Calculated formula: C18 H26 O6
• SMILES: O(C(=O)C)[C@@H]1CC(=CCC[C@]2(O[C@@H]2[C@H]2OC(=O)[C@](O)([C@H]12)CC)C)C
• Title of publication: Structurally Diverse Sesquiterpenoids from the Endangered Ornamental Plant Michelia shiluensis.
• Authors of publication: Xiong, Juan; Wang, Li-Jun; Qian, Jianchang; Wang, Pei-Pei; Wang, Xue-Jiao; Ma, Guang-Lei; Zeng, Huaqiang; Li, Jia; Hu, Jin-Feng
• Journal of publication: Journal of natural products
• Year of publication: 2018
• Journal volume: 81
• Journal issue: 10
• Pages of publication: 2195 - 2204
• a: 6.7154 ± 0.0008 Å
• b: 15.1719 ± 0.0015 Å
• c: 17.1256 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1744.8 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0591
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No