Information card for entry 2017249

Structure parameters

• Chemical name: 1-methyl-2-(3-nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazole
• Formula: C22 H17 N3 O2
• Calculated formula: C22 H17 N3 O2
• SMILES: n1(c(nc(c1c1ccccc1)c1ccccc1)c1cccc(N(=O)=O)c1)C
• 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: 16.242 ± 0.003 Å
• b: 9.583 ± 0.002 Å
• c: 11.615 ± 0.002 Å
• α: 90°
• β: 94.36 ± 0.02°
• γ: 90°
• Cell volume: 1802.6 ± 0.6 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: 0.1032
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes