Information card for entry 7155547

Structure parameters

• Formula: C35 H47 N O14
• Calculated formula: C35 H47 N O14
• SMILES: O1[C@@]2(O/C=C/[C@H](OC)[C@H]([C@@H](O)[C@@H]([C@H](O)[C@@H]([C@@H](O)[C@@H]3[C@H](C(=O)C[C@@]4(Oc5c(NC4=O)cc(O)c4c(c1c(c(O)c54)C)C2=O)C)C3)C)C)C)C.O.O
• 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: 8.9022 ± 0.0005 Å
• b: 14.9494 ± 0.0008 Å
• c: 27.943 ± 0.0016 Å
• α: 90°
• β: 93.499 ± 0.005°
• γ: 90°
• Cell volume: 3711.8 ± 0.4 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: 0.1258
• Residual factor for significantly intense reflections: 0.0937
• Weighted residual factors for significantly intense reflections: 0.2406
• Weighted residual factors for all reflections included in the refinement: 0.2635
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No