Information card for entry 1552633

Structure parameters

• Formula: C30 H25 N O10
• Calculated formula: C30 H25 N O10
• SMILES: O(c1cc2C3=CC4=Nc5c(O[C@@]4(O)C[C@]3(OC(=O)c2c(O)c1)C)cc(c(c5)C)c1cc(OC)cc(O)c1C(=O)O)C.O(c1cc2C3=CC4=Nc5c(O[C@]4(O)C[C@@]3(OC(=O)c2c(O)c1)C)cc(c(c5)C)c1cc(OC)cc(O)c1C(=O)O)C
• Title of publication: Bialternacins A-F, Aromatic Polyketide Dimers from an Endophytic Alternaria sp.
• Authors of publication: Yang, Cheng Long; Wu, Hui Min; Liu, Cheng Li; Zhang, Xuan; Guo, Zhi Kai; Chen, Yu; Liu, Fang; Liang, Yong; Jiao, Rui Hua; Tan, Ren Xiang; Ge, Hui Ming
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 4
• Pages of publication: 792 - 797
• a: 17.7022 ± 0.0006 Å
• b: 9.1991 ± 0.0003 Å
• c: 19.6833 ± 0.0006 Å
• α: 90°
• β: 115.412 ± 0.002°
• γ: 90°
• Cell volume: 2895.18 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.01 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1938
• Weighted residual factors for all reflections included in the refinement: 0.2158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.234
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No