Information card for entry 2213093

Structure parameters

• Chemical name: (5<i>R</i>,6<i>R</i>)-Methyl 6-methyl-2-phenyl-5,6-dihydro-4H-1,3-oxazine-5-carboxylate
• Formula: C13 H15 N O3
• Calculated formula: C13 H15 N O3
• SMILES: O1C(=NC[C@H]([C@H]1C)C(=O)OC)c1ccccc1.O1C(=NC[C@@H]([C@@H]1C)C(=O)OC)c1ccccc1
• Title of publication: (5<i>R</i>,6<i>R</i>)-Methyl 6-methyl-2-phenyl-5,6-dihydro-4<i>H</i>-1,3-oxazine-5-carboxylate
• Authors of publication: Le Dai; Fen-Er Chen; Min-Qin Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2365 - o2366
• a: 8.095 ± 0.004 Å
• b: 6.318 ± 0.003 Å
• c: 23.94 ± 0.01 Å
• α: 90°
• β: 101.501 ± 0.013°
• γ: 90°
• Cell volume: 1199.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes