Information card for entry 2005296

Structure parameters

• Chemical name: [2R,2(1S),4S]-2-(2-Oxocyclopentyl)-4-phenyl-3-(p-toluenesulfonyl)- 1,3-oxazolidine
• Formula: C21 H23 N O4 S
• Calculated formula: C21 H23 N O4 S
• SMILES: O1[C@@H](N([C@H](C1)c1ccccc1)S(=O)(=O)c1ccc(C)cc1)[C@H]1C(=O)CCC1
• Title of publication: An Arylsulfonyloxazolidine
• Authors of publication: Bolte, M.; Berger, B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 1987 - 1989
• a: 8.704 ± 0.001 Å
• b: 12.636 ± 0.001 Å
• c: 17.819 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1959.8 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.029
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for all reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.0811
• Goodness-of-fit parameter for all reflections: 1.018
• Goodness-of-fit parameter for significantly intense reflections: 1.026
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No