Information card for entry 1546957

Structure parameters

• Formula: C19 H24 O6
• Calculated formula: C19 H24 O6
• SMILES: O1C(=O)c2c(cc(O)cc2O)CC(=O)C[C@H](OC)CCC=CC[C@H]1C
• Title of publication: Antifungal and Cytotoxic β-Resorcylic Acid Lactones from a Paecilomyces Species.
• Authors of publication: Xu, Liangxiong; Wu, Ping; Xue, Jinghua; Molnar, Istvan; Wei, Xiaoyi
• Journal of publication: Journal of natural products
• Year of publication: 2017
• Journal volume: 80
• Journal issue: 8
• Pages of publication: 2215 - 2223
• a: 9.2583 ± 0.0001 Å
• b: 8.03346 ± 0.00008 Å
• c: 12.0021 ± 0.00014 Å
• α: 90°
• β: 103.302 ± 0.0011°
• γ: 90°
• Cell volume: 868.719 ± 0.017 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No