Information card for entry 1540426

Structure parameters

• Formula: C32 H32 O15
• Calculated formula: C32 H32 O15
• SMILES: O[C@@H]1[C@H](CC(=C2C(=O)c3c(O)ccc(c3O[C@@]12C(=O)OC)c1c(O)c2C(=O)C[C@](Oc2cc1)([C@@H]1OC(=O)C[C@@H]1C)C(=O)OC)O)C.O
• Title of publication: Versixanthones A-F, Cytotoxic Xanthone-Chromanone Dimers from the Marine-Derived Fungus Aspergillus versicolor HDN1009.
• Authors of publication: Wu, Guangwei; Yu, Guihong; Kurtán, Tibor; Mándi, Attila; Peng, Jixing; Mo, Xiaomei; Liu, Ming; Li, Hui; Sun, Xinhua; Li, Jing; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai
• Journal of publication: Journal of natural products
• Year of publication: 2015
• Journal volume: 78
• Journal issue: 11
• Pages of publication: 2691 - 2698
• a: 7.0833 ± 0.0001 Å
• b: 13.9608 ± 0.0001 Å
• c: 31.0735 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3072.81 ± 0.06 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.0389
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No