Information card for entry 1552634

Structure parameters

• Formula: C30 H22 O12
• Calculated formula: C30 H22 O12
• SMILES: O1C(=O)c2c(O)cc(OC)cc2C2=C(C(=O)C(=C[C@@]12C)O)C1=C2c3c(C(=O)O[C@@]2(C=C(O)C1=O)C)c(O)cc(OC)c3.O1C(=O)c2c(O)cc(OC)cc2C2=C(C(=O)C(=C[C@]12C)O)C1=C2c3c(C(=O)O[C@]2(C=C(O)C1=O)C)c(O)cc(OC)c3
• 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: 14.7453 ± 0.0003 Å
• b: 14.0183 ± 0.0003 Å
• c: 15.5 ± 0.0003 Å
• α: 90°
• β: 115.314 ± 0.001°
• γ: 90°
• Cell volume: 2896.27 ± 0.11 ų
• Cell temperature: 304 ± 2 K
• Ambient diffraction temperature: 304.11 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No