Information card for entry 1501664

Structure parameters

• Formula: C17 H24 Br N O4 Si
• Calculated formula: C17 H24 Br N O4 Si
• SMILES: Brc1ccc2N3C(=O)O[C@H]([C@@H]3COc2c1)CO[Si](C)(C)C(C)(C)C
• Title of publication: Design, synthesis, and structure-activity relationship studies of highly potent novel benzoxazinyl-oxazolidinone antibacterial agents.
• Authors of publication: Xin, Qisheng; Fan, Houxing; Guo, Bin; He, Huili; Gao, Suo; Wang, Hui; Huang, Yanqin; Yang, Yushe
• Journal of publication: Journal of medicinal chemistry
• Year of publication: 2011
• Journal volume: 54
• Journal issue: 21
• Pages of publication: 7493 - 7502
• a: 6.5913 ± 0.0008 Å
• b: 15.0012 ± 0.0018 Å
• c: 20.319 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2009.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0636
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 0.825
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No