Information card for entry 2215289

Structure parameters

• Chemical name: 1,3-Dibenzyl-2-phenylperhydropyrimidine
• Formula: C24 H26 N2
• Calculated formula: C24 H26 N2
• SMILES: N1(CCCN(C1c1ccccc1)Cc1ccccc1)Cc1ccccc1
• Title of publication: 1,3-Dibenzyl-2-phenylperhydropyrimidine
• Authors of publication: Xia, H.-T.; Liu, Y.-F.; Wang, D.-Q.; Gao, W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3665 - o3665
• a: 6.0912 ± 0.0011 Å
• b: 16.9 ± 0.002 Å
• c: 19.621 ± 0.003 Å
• α: 90°
• β: 98.304 ± 0.002°
• γ: 90°
• Cell volume: 1998.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1466
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 0.753
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes