Information card for entry 1559202

Structure parameters

• Formula: C20 H16 O7
• Calculated formula: C20 H16 O7
• SMILES: O=C(OC)c1c(c(O)cc(c1)CC)C1=C(O)C(=O)c2c(C1=O)cccc2O
• Title of publication: <i>S</i>-Bridged Thioether and Structure-Diversified Angucyclinone Derivatives from the South China Sea-Derived <i>Micromonospora echinospora</i> SCSIO 04089.
• Authors of publication: Fang, Zhuangjie; Jiang, Xiaodong; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Yang, Chunfang; Zhang, Haibo; Zhu, Yiguang; Zhang, Changsheng
• Journal of publication: Journal of natural products
• Year of publication: 2020
• a: 9.4014 ± 0.0003 Å
• b: 9.5711 ± 0.0003 Å
• c: 19.3229 ± 0.0005 Å
• α: 90°
• β: 102.198 ± 0.003°
• γ: 90°
• Cell volume: 1699.45 ± 0.09 ų
• Cell temperature: 99.9 ± 0.6 K
• Ambient diffraction temperature: 99.9 ± 0.6 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No