Information card for entry 2215975

Structure parameters

• Chemical name: 9-Methyl-2,6-di-<i>p</i>-tolyl-2,3,6,7-tetrahydro-1<i>H</i>,5<i>H</i>- pyrimido[5,6,1-<i>ij</i>]quinazoline
• Formula: C25 H27 N3
• Calculated formula: C25 H27 N3
• SMILES: Cc1cc2CN(CN3c2c(c1)CN(C3)c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: 9-Methyl-2,6-di-<i>p</i>-tolyl-2,3,6,7-tetrahydro-1<i>H</i>,5<i>H</i>-pyrimido[5,6,1-<i>ij</i>]quinazoline
• Authors of publication: Mahon, Andrew; Craig, Donald C.; Try, Andrew C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4311 - o4311
• a: 9.035 ± 0.003 Å
• b: 20.805 ± 0.007 Å
• c: 11.79 ± 0.003 Å
• α: 90°
• β: 110.95 ± 0.01°
• γ: 90°
• Cell volume: 2069.7 ± 1.1 ų
• Cell temperature: 294 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes