Information card for entry 1559205

Structure parameters

• Formula: C16 H16 O8
• Calculated formula: C16 H16 O8
• SMILES: O1c2cccc(O)c2C(=O)C2=C1C[C@@H](OC)[C@@H](O)[C@@]2(O)C(=O)OC
• 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: 6.8769 ± 0.0002 Å
• b: 11.506 ± 0.0004 Å
• c: 18.7242 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1481.56 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0247
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No