Information card for entry 2240210

Structure parameters

• Chemical name: (4<i>R</i>,5<i>S</i>)-4-Methyl-3-methylsulfinyl-5-phenyl-1,3-oxazolidin-2-one
• Formula: C11 H13 N O3 S
• Calculated formula: C11 H13 N O3 S
• SMILES: S(N1[C@@H]([C@@H](OC1=O)c1ccccc1)C)(=O)C
• Title of publication: Crystal structure of (4<i>R</i>,5<i>S</i>)-4-methyl-3-methylsulfinyl-5-phenyl-1,3-oxazolidin-2-one
• Authors of publication: Silveira, Gustavo Pozza; da Silva, Vinicius Flores; Oliver, Allen G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: o1257 - o1258
• a: 6.1605 ± 0.0004 Å
• b: 11.849 ± 0.0008 Å
• c: 15.3861 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1123.12 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0311
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes