Information card for entry 2236157

Structure parameters

• Common name: phenanthro[9,10-d]imidazole
• Chemical name: 2-(4-Fluorophenyl)-1-(4-methylphenyl)-1<i>H</i>- phenanthro[9,10-<i>d</i>]imidazole
• Formula: C28 H19 F N2
• Calculated formula: C28 H19 F N2
• SMILES: Fc1ccc(c2n(c3c(n2)c2c(c4c3cccc4)cccc2)c2ccc(cc2)C)cc1
• Title of publication: 2-(4-Fluorophenyl)-1-(4-methylphenyl)-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole
• Authors of publication: Rosepriya, S.; Thiruvalluvar, A.; Sathishkumar, R.; Jayabharathi, J.; Öztürk Yildirim, Sema; Butcher, R.J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2880
• a: 10.1809 ± 0.0002 Å
• b: 10.7654 ± 0.0002 Å
• c: 18.4871 ± 0.0003 Å
• α: 90°
• β: 96.115 ± 0.001°
• γ: 90°
• Cell volume: 2014.68 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0452
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes