Information card for entry 1517406

Structure parameters

• Formula: C19 H20 O6
• Calculated formula: C19 H20 O6
• SMILES: Oc1c2c(C(=O)C3=C(C2=O)C[C@H]2OC(O[C@]2(C3)C)(C)C)cc(OC)c1
• 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: 7.9773 ± 0.0001 Å
• b: 20.0228 ± 0.0003 Å
• c: 20.8545 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3331.05 ± 0.08 ų
• Cell temperature: 119.99 ± 0.18 K
• Ambient diffraction temperature: 119.99 ± 0.18 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: 0.0335
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No