Information card for entry 1503469

Structure parameters

• Formula: C16 H20 O7
• Calculated formula: C16 H20 O7
• SMILES: O=C1c2c(O)cc(cc2[C@@H](O)[C@@H]2[C@H](O)[C@@](O)([C@@H](O)C[C@@H]12)C)OC
• Title of publication: Bioactive Hydroanthraquinones and Anthraquinone Dimers from a Soft Coral-Derived Alternaria sp. Fungus.
• Authors of publication: Zheng, Cai-Juan; Shao, Chang-Lun; Guo, Zhi-Yong; Chen, Jian-Feng; Deng, Dong-Sheng; Yang, Kai-Lin; Chen, Yi-Yan; Fu, Xiu-Mei; She, Zhi-Gang; Lin, Yong-Cheng; Wang, Chang-Yun
• Journal of publication: Journal of natural products
• Year of publication: 2012
• Journal volume: 75
• Journal issue: 2
• Pages of publication: 189 - 197
• a: 5.6703 ± 0.001 Å
• b: 10.858 ± 0.002 Å
• c: 23.955 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1474.9 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0487
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No