Information card for entry 2216413

Structure parameters

• Chemical name: (4<i>S</i>)-Benzyl 4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate
• Formula: C18 H17 N O4
• Calculated formula: C18 H17 N O4
• SMILES: N1(C(=O)OCc2ccccc2)[C@@H](Cc2ccccc2)C(=O)OC1
• Title of publication: (4<i>S</i>)-Benzyl 4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate
• Authors of publication: Zhang, Xing-Hua; Lin, Kan; Zhao, Yu-Fen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4767 - o4767
• a: 11.4729 ± 0.0011 Å
• b: 5.9019 ± 0.0004 Å
• c: 12.5093 ± 0.001 Å
• α: 90°
• β: 107.81 ± 0.01°
• γ: 90°
• Cell volume: 806.44 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0453
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes