Information card for entry 1503470

Structure parameters

• Formula: C16 H20 O8
• Calculated formula: C16 H22 O9
• SMILES: O=C1[C@H]2[C@H]([C@H](O)c3cc(OC)cc(O)c13)[C@@H]([C@@](O)([C@@H](O)[C@@H]2O)C)O.O
• 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: 5.3587 ± 0.0011 Å
• b: 13.167 ± 0.003 Å
• c: 11.052 ± 0.002 Å
• α: 90°
• β: 99.957 ± 0.004°
• γ: 90°
• Cell volume: 768.1 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0382
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No