Information card for entry 1557884

Structure parameters

• Formula: C19 H21 Cl O8
• Calculated formula: C19 H21 Cl O8
• SMILES: Clc1c2CC(=O)/C=C/[C@H]3O[C@H]3[C@H]3O[C@@H]3C[C@H](OC(=O)c2c(O)cc1O)C.OC
• Title of publication: Resorcylic Acid Lactones from an Ilyonectria sp.
• Authors of publication: Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li
• Journal of publication: Journal of Natural Products
• Year of publication: 2020
• a: 9.53453 ± 0.00007 Å
• b: 5.13144 ± 0.00004 Å
• c: 18.92992 ± 0.00013 Å
• α: 90°
• β: 95.899 ± 0.0007°
• γ: 90°
• Cell volume: 921.258 ± 0.012 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0234
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No