Information card for entry 4025984

Structure parameters

• Chemical name: 2-Oxo-4-phenyl-oxazolidine-5-carboxylic acid methyl ester
• Formula: C11 H11 N O4
• Calculated formula: C11 H11 N O4
• SMILES: O1C(=O)N[C@H]([C@@H]1C(=O)OC)c1ccccc1
• Title of publication: Alkyl 4-Chlorobenzoyloxycarbamates as Highly Effective Nitrogen Source Reagents for the Base-Free, Intermolecular Aminohydroxylation Reaction
• Authors of publication: Lawrence Harris; Simon P. H. Mee; Richard H. Furneaux; Graeme J. Gainsford; Andreas Luxenburger
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 358 - 372
• a: 8.2984 ± 0.0003 Å
• b: 5.8941 ± 0.0002 Å
• c: 11.0767 ± 0.0008 Å
• α: 90°
• β: 108.428 ± 0.008°
• γ: 90°
• Cell volume: 514 ± 0.05 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0301
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No