Information card for entry 2222071

Structure parameters

• Chemical name: 4,5-Diphenyl-2-<i>p</i>-tolyl-1<i>H</i>-imidazol-3-ium nitrate
• Formula: C22 H19 N3 O3
• Calculated formula: C22 H19 N3 O3
• SMILES: [nH]1c(c([nH+]c1c1ccc(cc1)C)c1ccccc1)c1ccccc1.O=N(=O)[O-]
• Title of publication: 4,5-Diphenyl-2-<i>p</i>-tolyl-1<i>H</i>-imidazol-3-ium nitrate
• Authors of publication: Cui, Li-Jing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1361
• a: 8.442 ± 0.002 Å
• b: 12.97 ± 0.003 Å
• c: 17.098 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1872.1 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes