Information card for entry 1557631

Structure parameters

• Formula: C23 H25 Cl O6
• Calculated formula: C23 H25 Cl O6
• SMILES: ClC1C(=O)[C@]2(OC(=O)C(=C2C2C=1C=C(OC=2)/C=C/[C@H](CC)C)C(=O)[C@@H]([C@H](O)C)C)C
• Title of publication: Cytotoxic Nitrogenated Azaphilones from the Deep-Sea-Derived Fungus Chaetomium globosum MP4-S01-7
• Authors of publication: Wang, Weiyi; Yang, Jing; Liao, Yan-Yan; Cheng, Gang; Chen, Jing; Cheng, Xiang-Dong; Qin, Jiang-Jiang; Shao, Zongze
• Journal of publication: Journal of Natural Products
• Year of publication: 2020
• a: 12.1671 ± 0.0008 Å
• b: 5.4176 ± 0.0004 Å
• c: 16.7266 ± 0.0011 Å
• α: 90°
• β: 107.932 ± 0.004°
• γ: 90°
• Cell volume: 1049 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No