Information card for entry 2311173

Structure parameters

• Chemical name: 1-(4-Methoxyphenyl)-2-[4-(trifluromethyl)phenyl]-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole
• Formula: C29 H19 F3 N2 O
• Calculated formula: C29 H19 F3 N2 O
• SMILES: FC(F)(F)c1ccc(c2n(c3c4ccccc4c4ccccc4c3n2)c2ccc(OC)cc2)cc1
• Title of publication: 1-(4-Meth-oxy-phen-yl)-2-[4-(tri-fluoro-meth-yl)phen-yl]-1H-phenanthro[9,10-d]imidazole.
• Authors of publication: Mohandas, T.; Sathishkumar, R.; Jayabharathi, J.; Pasupathi, A.; Sakthivel, P.
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 8
• Pages of publication: o1293 - 4
• a: 11.7063 ± 0.0009 Å
• b: 20.2301 ± 0.0016 Å
• c: 9.5419 ± 0.0008 Å
• α: 90°
• β: 99.725 ± 0.002°
• γ: 90°
• Cell volume: 2227.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0733
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No