Information card for entry 1557882

Structure parameters

• Formula: C54 H75 N9 O13
• Calculated formula: C54 H75 N9 O13
• SMILES: O=C1N[C@H](C(=O)N(C)[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H]1Cc1ccc(O)c(N(=O)=O)c1)CC(C)C)C)Cc1cn(c2c1cccc2)C(C=C)(C)C)C/C=C/C)CC(C)C)C[C@H](C(=O)O)CO)C
• Title of publication: Antitubercular Ilamycins from Marine-Derived Streptomyces atratus SCSIO ZH16 ΔilaR
• Authors of publication: Sun, Changli; Liu, Zhiyong; Zhu, Xiangcheng; Fan, Zhiying; Huang, Xuanmei; Wu, Qiaoling; Zheng, Xiaohong; Qin, Xiangjing; Zhang, Tianyu; Zhang, Hua; Ju, Jianhua; Ma, Junying
• Journal of publication: Journal of Natural Products
• Year of publication: 2020
• a: 31.3214 ± 0.0009 Å
• b: 17.9026 ± 0.0007 Å
• c: 12.675 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7107.3 ± 0.5 ų
• Cell temperature: 100 ± 6 K
• Ambient diffraction temperature: 100 ± 6 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No