Information card for entry 2236412

Structure parameters

• Chemical name: (2<i>S</i>,4<i>S</i>)-3-Benzoyl-4-benzyl-2-(<i>tert</i>-butyl)-1,3- oxazolidin-5-one
• Formula: C21 H23 N O3
• Calculated formula: C21 H23 N O3
• SMILES: c1ccccc1C(=O)N1[C@H](C(C)(C)C)OC(=O)[C@@H]1Cc1ccccc1
• Title of publication: (2<i>S</i>,4<i>S</i>)-3-Benzoyl-4-benzyl-2-<i>tert</i>-butyl-1,3-oxazolidin-5-one
• Authors of publication: Dungan, Victoria J.; Mueller-Bunz, Helge; Rutledge, Peter J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2747
• a: 23.6627 ± 0.0017 Å
• b: 7.1449 ± 0.0005 Å
• c: 12.2265 ± 0.0009 Å
• α: 90°
• β: 117.47 ± 0.001°
• γ: 90°
• Cell volume: 1834 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0878
• 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