Information card for entry 2222474

Structure parameters

• Chemical name: (5<i>R</i>)-4-Methyl-3-(2-phenoxyacetyl)-5-phenyl-1,3,4-oxadiazinan-2-one
• Formula: C18 H18 N2 O4
• Calculated formula: C18 H18 N2 O4
• SMILES: C1(COC(=O)N(C(=O)COc2ccccc2)N1C)c1ccccc1
• Title of publication: 4-Methyl-3-(2-phenoxyacetyl)-5-phenyl-1,3,4-oxadiazinan-2-one
• Authors of publication: Zukerman-Schpector, Julio; Sousa Madureira, Lucas; Rodrigues, Alessandro; Vinhato, Elisângela; Olivato, Paulo R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1468
• a: 9.6024 ± 0.0009 Å
• b: 9.4203 ± 0.001 Å
• c: 19.275 ± 0.003 Å
• α: 90°
• β: 114.206 ± 0.009°
• γ: 90°
• Cell volume: 1590.3 ± 0.4 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.156
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.208
• Weighted residual factors for all reflections included in the refinement: 0.246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes