Information card for entry 2202011

Structure parameters

• Formula: C16 H22 N2 O3
• Calculated formula: C16 H22 N2 O3
• SMILES: O1C(=O)N(N([C@H]([C@@H]1c1ccccc1)C)C)C(=O)C(C)(C)C
• Title of publication: (5<i>S</i>,6<i>R</i>)-4,5-Dimethyl-6-phenyl-3-trimethylacetyl-2<i>H</i>-1,3,4-oxadiazinan-2-one
• Authors of publication: Gregory M. Ferrence; Joel M. Esken; Jennifer R. Blackburn; Shawn R. Hitchcock
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: o212 - o214
• a: 10.1079 ± 0.0007 Å
• b: 11.4087 ± 0.001 Å
• c: 14.0354 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1618.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes