Information card for entry 2222368

Structure parameters

• Chemical name: 2-(3-Nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazol-3-ium nitrate
• Formula: C21 H16 N4 O5
• Calculated formula: C21 H16 N4 O5
• SMILES: O=N(=O)[O-].[nH]1c([nH+]c(c2ccccc2)c1c1ccccc1)c1cc(N(=O)=O)ccc1
• Title of publication: 2-(3-Nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazol-3-ium nitrate
• Authors of publication: Zhang, Yi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1675
• a: 5.87 ± 0.001 Å
• b: 12.509 ± 0.003 Å
• c: 26.476 ± 0.005 Å
• α: 90°
• β: 95.06 ± 0.03°
• γ: 90°
• Cell volume: 1936.5 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1208
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes