Information card for entry 2201264

Structure parameters

• Chemical name: (4RS,5RS)-4-Phenyl-5-(4-tolylthiocarbonyl)oxazolidin-2-one
• Formula: C17 H15 N O3 S
• Calculated formula: C17 H15 N O3 S
• SMILES: O=C1N[C@@H]([C@@H](O1)C(=O)Sc1ccc(cc1)C)c1ccccc1.O=C1N[C@H]([C@H](O1)C(=O)Sc1ccc(cc1)C)c1ccccc1
• Title of publication: (4<i>RS</i>,5<i>RS</i>)-4-Phenyl-5-(4-tolylthiocarbonyl)oxazolidin-2-one
• 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: o760 - o762
• a: 8.931 ± 0.003 Å
• b: 12.854 ± 0.005 Å
• c: 14.884 ± 0.004 Å
• α: 75.067 ± 0.018°
• β: 72.757 ± 0.014°
• γ: 75.547 ± 0.015°
• Cell volume: 1548.7 ± 0.9 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes