Information card for entry 7155548

Structure parameters

• Formula: C37 H45 N O13
• Calculated formula: C37 H45 N O13
• SMILES: O(C(=O)C)[C@@H]1[C@@H]([C@@H](OC)C=CO[C@]2(Oc3c(C2=O)c2c(O)c(O)c4NC(=O)[C@@](Oc4c2c(O)c3C)(C=CC=C([C@@H](O)[C@H]([C@@H](O)[C@H]1C)C)C)C)C)C
• Title of publication: Rifamorpholines A-E, Potential Antibiotics from a Locust-Associated Actinobacteria Amycolatopsis sp. Hca4
• Authors of publication: Xiao, Yongsheng; Zhang, Bo; Zhang, Mei; Guo, Zhi Kai; Deng, Xin Zhao; Shi, Jing; Li, Wei; Jiao, Rui Hua; Tan, R.-X.; Ge, Hui Ming
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 11.8973 ± 0.0001 Å
• b: 14.2852 ± 0.0002 Å
• c: 11.9193 ± 0.0002 Å
• α: 90°
• β: 114.749 ± 0.001°
• γ: 90°
• Cell volume: 1839.68 ± 0.05 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 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: 0.046
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No