Information card for entry 2201799

Structure parameters

• Chemical name: 4,4-Dimethyl-2,6-diphenyl-2-(2-methyl-1-propenyl)-tetrahydropyrimidine
• Formula: C22 H26 N2
• Calculated formula: C22 H26 N2
• SMILES: N1=C(CC(NC1(c1ccccc1)\C=C(C)/C)(C)C)c1ccccc1
• Title of publication: 4,4-Dimethyl-2-(2-methyl-1-propenyl)-2,6-diphenyl-2,3,4,5-tetrahydropyrimidine
• Authors of publication: Jones, Peter G.; Hopf, Henning; Lautenbach, Holger W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: o324 - o325
• a: 10.268 ± 0.003 Å
• b: 8.401 ± 0.003 Å
• c: 21.281 ± 0.007 Å
• α: 90°
• β: 96.45 ± 0.03°
• γ: 90°
• Cell volume: 1824.1 ± 1 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 2 K
• Number of distinct elements: 3
• 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: 0.0728
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes