Information card for entry 2219273

Structure parameters

• Chemical name: Methyl 6-methoxycarbonylmethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine- 5-carboxylate
• Formula: C15 H16 N2 O5
• Calculated formula: C15 H16 N2 O5
• SMILES: N1C(=O)NC(C(=C1CC(=O)OC)C(=O)OC)c1ccccc1
• Title of publication: Methyl 6-methoxycarbonylmethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
• Authors of publication: Kettmann, Viktor; Světlík, Jan; Veizerová, Lucia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1776
• a: 23.498 ± 0.005 Å
• b: 12.072 ± 0.002 Å
• c: 10.933 ± 0.005 Å
• α: 90°
• β: 99.15 ± 0.02°
• γ: 90°
• Cell volume: 3061.9 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1055
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes