Information card for entry 2017246

Structure parameters

• Chemical name: 2-(2-nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazole acetonitrile solvate
• Formula: C23 H18 N4 O2
• Calculated formula: C23 H18 N4 O2
• SMILES: [nH]1c(nc(c1c1ccccc1)c1ccccc1)c1ccccc1N(=O)=O.N#CC
• Title of publication: Structural comparisons between methylated and unmethylated nitrophenyl lophines
• Authors of publication: Yanover, Diana; Kaftory, Menahem
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o365 - o370
• a: 9.111 ± 0.002 Å
• b: 18.83 ± 0.004 Å
• c: 23.754 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4075.2 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1536
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.814
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes