Information card for entry 1559312

Structure parameters

• Formula: C20 H30 O6
• Calculated formula: C20 H30 O6
• SMILES: O([C@@H]1[C@H]2OC(=O)C(=C)[C@@H]2CC(=O)[C@@H](CCC[C@@]1(O)C)C)C(=O)[C@H](C)CC
• 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: 9.4133 ± 0.0002 Å
• b: 12.7259 ± 0.0003 Å
• c: 16.595 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1987.96 ± 0.08 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: 0.0575
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No