Information card for entry 2234165

Structure parameters

• Chemical name: 1-(4-<i>tert</i>-Butylbenzyl)pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione
• Formula: C15 H18 N2 O2
• Calculated formula: C15 H18 N2 O2
• Title of publication: 1-(4-<i>tert</i>-Butylbenzyl)pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione
• Authors of publication: Wang, Hong-Sheng; Li, Gong-Chun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1047
• a: 20.853 ± 0.007 Å
• b: 10.013 ± 0.004 Å
• c: 13.893 ± 0.005 Å
• α: 90°
• β: 94.915 ± 0.006°
• γ: 90°
• Cell volume: 2890.2 ± 1.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1219
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.2069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes