Information card for entry 1545922

Structure parameters

• Formula: C37 H39 N O5
• Calculated formula: C37 H39 N O5
• SMILES: O=n1cc(OC(c2ccccc2)c2ccccc2)c(OC(c2ccccc2)c2ccccc2)cc1[C@@H](O)C(C)C.C(C)O
• Title of publication: Discovery of Novel Pyridone-Conjugated Monosulfactams as Potent and Broad-Spectrum Antibiotics for Multidrug-Resistant Gram-Negative Infections.
• Authors of publication: Tan, Liang; Tao, Yunliang; Wang, Ting; Zou, Feng; Zhang, Shuhua; Kou, Qunhuan; Niu, Ao; Chen, Qian; Chu, Wenjing; Chen, Xiaoyan; Wang, Haidong; Yang, Yushe
• Journal of publication: Journal of medicinal chemistry
• Year of publication: 2017
• Journal volume: 60
• Journal issue: 7
• Pages of publication: 2669 - 2684
• a: 9.0661 ± 0.0008 Å
• b: 10.4931 ± 0.0009 Å
• c: 34.221 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3255.5 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.099
• Residual factor for significantly intense reflections: 0.0937
• Weighted residual factors for significantly intense reflections: 0.2667
• Weighted residual factors for all reflections included in the refinement: 0.2754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No