Information card for entry 2012970

Structure parameters

• Chemical name: 2-Methyl-1,4,5-triphenyl-1H-imidazole
• Formula: C22 H18 N2
• Calculated formula: C22 H18 N2
• SMILES: Cc1nc(c(n1c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: 2-Methyl-1,4,5-triphenyl-1<i>H</i>-imidazole
• Authors of publication: Vázquez García, Rosa A.; Bernès, Sylvain; Gutiérrez Pérez, René; Martínez García, Marcos
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: o619 - o620
• a: 8.5768 ± 0.0005 Å
• b: 9.8285 ± 0.0009 Å
• c: 10.7315 ± 0.0007 Å
• α: 96.288 ± 0.006°
• β: 92.042 ± 0.004°
• γ: 106.338 ± 0.005°
• Cell volume: 860.79 ± 0.11 ų
• Cell temperature: 299 ± 1 K
• Ambient diffraction temperature: 299 ± 1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes