Information card for entry 1559310

Structure parameters

• Formula: C20 H30 O7
• Calculated formula: C20 H30 O7
• SMILES: O(C(=O)[C@@H](CC)C)[C@H]1[C@@](O)(C[C@@H]2O[C@](O)(C[C@H]3C(=C)C(=O)O[C@H]13)[C@@H](C2)C)C
• 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: 10.5956 ± 0.0004 Å
• b: 11.0155 ± 0.0004 Å
• c: 17.0375 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1988.55 ± 0.13 ų
• Cell temperature: 100 ± 2 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: 0.0378
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No