Information card for entry 2017248

Structure parameters

• Chemical name: 1-methyl-2-(2-nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazole methanol solvate
• Formula: C23 H21 N3 O3
• Calculated formula: C23 H21 N3 O3
• SMILES: O=N(=O)c1c(cccc1)c1n(c(c(n1)c1ccccc1)c1ccccc1)C.OC
• 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: 5.813 ± 0.001 Å
• b: 15.003 ± 0.003 Å
• c: 23.243 ± 0.005 Å
• α: 90°
• β: 95.48 ± 0.003°
• γ: 90°
• Cell volume: 2017.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1466
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No