Information card for entry 1547550

Structure parameters

• Formula: C43 H65 F N6 O10
• Calculated formula: C43 H65 F N6 O10
• SMILES: F[C@]1(C(=O)[C@@H]([C@@H](O[C@@H]2O[C@@H](C[C@@H]([C@H]2O)N(C)C)C)[C@](OC)(C[C@@H](C)C(=O)[C@@H]([C@H]2N(C(=O)O[C@@]2([C@H](OC1=O)CC)C)CCCCn1cc(c2cc(ccc2)N)nn1)C)C)C)C
• Title of publication: Identification, Characterization, Synthesis, and Strategy for Minimization of Potential Impurities Observed in the Synthesis of Solithromycin
• Authors of publication: Zhong, Zhihong; Du, Chong; Luo, Zhonghua; Song, Shuaihua; Liao, Gaohong; Yao, Jia; Goldmann, Siegfried; Wang, Zhongqing
• Journal of publication: Organic Process Research & Development
• Year of publication: 2017
• Journal volume: 21
• Journal issue: 9
• Pages of publication: 1371
• a: 8.6067 ± 0.0001 Å
• b: 19.0255 ± 0.0002 Å
• c: 28.0976 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4600.89 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0397
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No