Information card for entry 1559313

Structure parameters

• Formula: C20 H28 O7
• Calculated formula: C20 H28 O7
• SMILES: O1[C@H]2C[C@](O)([C@H](OC(=O)/C(=C\C)C)[C@H]3OC(=O)C(=C)[C@@H]3C[C@]1(O)[C@H](C)C2)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: 10.2716 ± 0.0002 Å
• b: 12.1391 ± 0.0002 Å
• c: 17.1059 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2132.9 ± 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: 0.0534
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No