Information card for entry 2232610

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>-Diethylanilinium 2,4-dioxo-5-(2,4,6-trinitrophenyl)-1,2,3,4-tetrahydropyrimidin-6-olate
• Formula: C20 H20 N6 O9
• Calculated formula: C20 H20 N6 O9
• Title of publication: <i>N</i>,<i>N</i>-Diethylanilinium 2,4-dioxo-5-(2,4,6-trinitrophenyl)-1,2,3,4-tetrahydropyrimidin-6-olate
• Authors of publication: Buvaneswari, Manickam; Kalaivani, Doraisamyraja
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3452
• a: 17.1903 ± 0.0007 Å
• b: 10.3925 ± 0.0005 Å
• c: 13.3613 ± 0.0005 Å
• α: 90°
• β: 110.272 ± 0.002°
• γ: 90°
• Cell volume: 2239.14 ± 0.17 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: 0.0533
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes