Information card for entry 8107156

Structure parameters

• Formula: C35 H28 N4 O
• Calculated formula: C35 H28 N4 O
• SMILES: c12c(cc(cc1c(nc(c1ccc(cc1)OC)n2)Nc1ccccc1)c1ccccc1)c1ccccc1.C(#N)C
• Title of publication: The crystal structure of 2-(4-methoxyphenyl)-6,8-diphenyl-4-(phenylamino)quinazoline — acetonitrile (1/1), C35H28N4O
• Authors of publication: Maluleka, Marole M.; Mphahlele, Malose J.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 4
• Pages of publication: 1237 - 1239
• a: 10.5972 ± 0.0011 Å
• b: 11.0497 ± 0.0012 Å
• c: 12.0241 ± 0.0012 Å
• α: 89.499 ± 0.004°
• β: 77.169 ± 0.004°
• γ: 79.758 ± 0.004°
• Cell volume: 1350.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No