Information card for entry 1559311

Structure parameters

• Formula: C20 H30 O7
• Calculated formula: C20 H30 O7
• SMILES: O(C(=O)[C@H](CC)C)[C@@H]1[C@H]2OC(=O)C(=C)[C@@H]2C[C@@]2(O)O[C@@H](C[C@@]1(O)C)C[C@H]2C
• Title of publication: Cytotoxic Germacranolides from the Whole Plant of Carpesium minus
• Authors of publication: Zhu, Li; Liu, Xiao-Qin; Lin, Yao-Lan; Wang, Wen-Li; Luo, Jian-Guang; Kong, Ling-Yi
• Journal of publication: Journal of Natural Products
• Year of publication: 2020
• a: 10.3067 ± 0.0002 Å
• b: 10.8729 ± 0.0002 Å
• c: 17.3336 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1942.47 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0312
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No