Information card for entry 2017250

Structure parameters

• Chemical name: 1-methyl-2-(4-nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazole
• Formula: C22 H17 N3 O2
• Calculated formula: C22 H17 N3 O2
• SMILES: O=N(=O)c1ccc(cc1)c1n(c(c(n1)c1ccccc1)c1ccccc1)C
• 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: 11.855 ± 0.002 Å
• b: 12.384 ± 0.002 Å
• c: 14.791 ± 0.003 Å
• α: 111.95 ± 0.03°
• β: 99.56 ± 0.03°
• γ: 109.63 ± 0.03°
• Cell volume: 1788.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0812
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes