Information card for entry 2009140

Structure parameters

• Formula: C14 H14 N2 O2
• Calculated formula: C14 H14 N2 O2
• Title of publication: 4-Phenyl-2,3,5,6,7,8-hexahydro-1<i>H</i>-pyrido[1,2-<i>c</i>]pyrimidine-1,3-dione
• Authors of publication: Wolska, Irena; Herold, Franciszek
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 1950 - 1952
• a: 11.101 ± 0.002 Å
• b: 8.404 ± 0.002 Å
• c: 12.836 ± 0.003 Å
• α: 90°
• β: 92.68 ± 0.03°
• γ: 90°
• Cell volume: 1196.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0473
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections: 1.049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No