Information card for entry 1517405

Structure parameters

• Formula: C17 H20 O10
• Calculated formula: C17 H20 O10
• SMILES: O([C@]12C(=O)c3c(C(=O)[C@@]2(O)[C@H](O)[C@@H](O)[C@@](O)([C@@H]1O)C)c(O)cc(OC)c3)C
• Title of publication: Bioactive Anthraquinone Derivatives from the Mangrove-Derived Fungus Stemphylium sp. 33231.
• Authors of publication: Zhou, Xue-Ming; Zheng, Cai-Juan; Chen, Guang-Ying; Song, Xiao-Ping; Han, Chang-Ri; Li, Gao-Nan; Fu, Yan-Hui; Chen, Wen-Hao; Niu, Zhi-Gang
• Journal of publication: Journal of natural products
• Year of publication: 2014
• Journal volume: 77
• Journal issue: 9
• Pages of publication: 2021 - 2028
• a: 6.16471 ± 0.00007 Å
• b: 11.40078 ± 0.00015 Å
• c: 23.0795 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1622.09 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0283
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No