Information card for entry 2017245

Structure parameters

• Chemical name: 2-(2-nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazole
• Formula: C21 H15 N3 O2
• Calculated formula: C21 H15 N3 O2
• SMILES: O=N(=O)c1c(cccc1)c1[nH]c(c(n1)c1ccccc1)c1ccccc1
• 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: 10.521 ± 0.002 Å
• b: 19.769 ± 0.004 Å
• c: 9.056 ± 0.002 Å
• α: 90°
• β: 111.49 ± 0.03°
• γ: 90°
• Cell volume: 1752.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1042
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes