Information card for entry 2239513

Structure parameters

• Chemical name: 2-[2-(2-Nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]-3-phenylpropan-1-ol
• Formula: C30 H25 N3 O3
• Calculated formula: C30 H25 N3 O3
• SMILES: O=N(=O)c1c(c2nc(c3ccccc3)c(n2[C@@H](Cc2ccccc2)CO)c2ccccc2)cccc1
• Title of publication: 2-[2-(2-Nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]-3-phenylpropan-1-ol
• Authors of publication: Li, Yizhen; Mao, Pu; Xiao, Yongmei; Yang, Liangru; Qu, Lingbo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: o621
• a: 10.54812 ± 0.00016 Å
• b: 12.77836 ± 0.00019 Å
• c: 18.48 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2490.88 ± 0.07 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 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: 0.0397
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes