Information card for entry 1553387

Structure parameters

• Formula: C19 H26 O7
• Calculated formula: C19 H26 O7
• SMILES: O1[C@@]2(CCC=C(C[C@@H](OC(=O)C)[C@@H]3[C@H](OC(=O)[C@@]3(O)CC(=O)C)[C@@H]12)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: 8.9106 ± 0.0001 Å
• b: 10.0011 ± 0.0002 Å
• c: 11.0207 ± 0.0002 Å
• α: 90°
• β: 110.689 ± 0.001°
• γ: 90°
• Cell volume: 918.78 ± 0.03 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No