Information card for entry 2201266

Structure parameters

• Chemical name: (4S,5S)-4-Benzyl-2-oxooxazolidine-5-carboxylic acid
• Formula: C11 H11 N O4
• Calculated formula: C11 H11 N O4
• SMILES: [C@@H]1(OC(=O)N[C@H]1Cc1ccccc1)C(=O)O
• Title of publication: (4<i>S</i>,5<i>S</i>)-4-Benzyl-2-oxooxazolidine-5-carboxylic acid
• Authors of publication: Clegg, William; Elsegood, Mark R. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: o765 - o766
• a: 7.244 ± 0.003 Å
• b: 6.3067 ± 0.0019 Å
• c: 11.554 ± 0.003 Å
• α: 90°
• β: 99.41 ± 0.03°
• γ: 90°
• Cell volume: 520.8 ± 0.3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.0275
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes