Information card for entry 2207259

Structure parameters

• Chemical name: 5-(4-Methoxybenzoyl)-6-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H- 1,3-oxazine-2,4-dione
• Formula: C25 H19 N O6
• Calculated formula: C25 H19 N O6
• SMILES: N1(C(=O)OC(=C(C1=O)C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1)c1ccccc1
• Title of publication: 5-(4-Methoxybenzoyl)-6-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2<i>H</i>-1,3-oxazine-2,4-dione
• Authors of publication: Adams, Harry; Hawxwell, Samuel M.; Mustafa Saçmaci; Şevket Hakan Üngoren; Yunus Akçamur; Recep Sahingoz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3910 - o3911
• a: 10.95 ± 0.002 Å
• b: 5.8163 ± 0.0012 Å
• c: 30.968 ± 0.006 Å
• α: 90°
• β: 91.01 ± 0.004°
• γ: 90°
• Cell volume: 1972 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1089
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes