Information card for entry 2311137

Structure parameters

• Chemical name: 4-(1-Allyl-4,5-diphenyl-1<i>H</i>-imidazol-2-yl)-<i>N</i>,<i>N</i>-dimethylaniline
• Formula: C26 H25 N3
• Calculated formula: C26 H25 N3
• SMILES: n1(c(c(nc1c1ccc(N(C)C)cc1)c1ccccc1)c1ccccc1)CC=C
• Title of publication: 4-(1-Allyl-4,5-diphenyl-1H-imidazol-2-yl)-N,N-dimethyl-aniline.
• Authors of publication: Akkurt, Mehmet; Fronczek, Frank R.; Mohamed, Shaaban K.; Talybov, Avtandil H.; Marzouk, Adel A. E.; Abdelhamid, Antar A.
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 4
• Pages of publication: o527 - 8
• a: 9.4259 ± 0.0007 Å
• b: 10.2028 ± 0.0007 Å
• c: 44.721 ± 0.003 Å
• α: 94.711 ± 0.002°
• β: 94.096 ± 0.002°
• γ: 107.359 ± 0.002°
• Cell volume: 4070.2 ± 0.5 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No