Information card for entry 1559204

Structure parameters

• Formula: C14 H11 N O6
• Calculated formula: C14 H11 N O6
• SMILES: O1c2cccc(O)c2C(=O)C2[C@@]3(O)[C@H](O)[C@H](NC3=O)CC1=2
• Title of publication: Cytotoxic Xanthone Derivatives from the Mangrove-Derived Endophytic Fungus Peniophora incarnata Z4
• Authors of publication: Li, Sui Jun; Jiao, Fang Wen; Li, Wei; Zhang, Xuan; Yan, Wei; Jiao, Rui Hua
• Journal of publication: Journal of Natural Products
• Year of publication: 2020
• a: 6.3952 ± 0.0003 Å
• b: 9.0538 ± 0.0004 Å
• c: 10.7157 ± 0.0005 Å
• α: 90°
• β: 100.069 ± 0.003°
• γ: 90°
• Cell volume: 610.89 ± 0.05 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 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: 0.0308
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No