Information card for entry 2203984

Structure parameters

• Chemical name: 4,5-Diphenyl-1H-imidazole-1-acetic acid
• Formula: C17 H14 N2 O2
• Calculated formula: C17 H14 N2 O2
• SMILES: OC(=O)Cn1cnc(c1c1ccccc1)c1ccccc1
• Title of publication: 4,5-Diphenyl-1H-imidazole-1-acetic acid
• Authors of publication: Gao, Shan; Zhao, Hui; Huo, Li-Hua; Gao, Jin-Shan; Zain, Sharifuddin M.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: o1390 - o1392
• a: 23.048 ± 0.007 Å
• b: 23.048 Å
• c: 5.663 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3008 ± 2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.238
• Weighted residual factors for all reflections included in the refinement: 0.244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.25
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No