Information card for entry 2200117

Structure parameters

• Formula: C12 H16 N2 O3
• Calculated formula: C12 H16 N2 O3
• SMILES: O1N([C@@H](O[C@H](C1)CC)c1ccccc1)C(=O)N.O1N([C@H](O[C@@H](C1)CC)c1ccccc1)C(=O)N
• Title of publication: 2-Carbamoyl-6-éthyl-3-phényl-2,3,5,6-tétrahydro-1,4,2-dioxazine
• Authors of publication: Elmeslouhi, H.; Essassi, E. M.; Pierrot, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: o205 - o206
• a: 5.4856 ± 0.0004 Å
• b: 9.906 ± 0.001 Å
• c: 12.227 ± 0.001 Å
• α: 73.429 ± 0.004°
• β: 77.443 ± 0.007°
• γ: 78.576 ± 0.007°
• Cell volume: 614.98 ± 0.09 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections: 1.04
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No