Information card for entry 1557802

Structure parameters

• Formula: C15 H16 O6
• Calculated formula: C15 H16 O6
• SMILES: c1(O)cccc2c1C(=O)[C@]1([C@H](C=C([C@H](O)[C@@]1(O2)C)C)O)O
• Title of publication: Bioactive Polyhydroxanthones from Penicillium purpurogenum
• Authors of publication: Xue, Jinghua; Li, Hanxiang; Wu, Ping; Xu, Liangxiong; Yuan, Yunfei; Wei, Xiaoyi
• Journal of publication: Journal of Natural Products
• Year of publication: 2020
• a: 7.01084 ± 0.00018 Å
• b: 10.9717 ± 0.0006 Å
• c: 17.1758 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1321.18 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.03
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No