Information card for entry 2218874

Structure parameters

• Chemical name: <i>trans</i>-4-(1-Naphthyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid
• Formula: C14 H11 N O4
• Calculated formula: C14 H11 N O4
• SMILES: c1(cccc2ccccc12)[C@@H]1[C@@H](C(=O)O)OC(=O)N1.c1(cccc2ccccc12)[C@H]1[C@H](C(=O)O)OC(=O)N1
• Title of publication: <i>trans</i>-4-(1-Naphthyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid
• Authors of publication: Yang, Jiao-Yan; Ming, Zhi-Hui; An, Jing; Hua, Qiu-Lin; Lu, Liang-Qiu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1484
• a: 8.7159 ± 0.0017 Å
• b: 12.817 ± 0.003 Å
• c: 20.737 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2316.6 ± 0.8 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes