Information card for entry 2311131

Structure parameters

• Chemical name: 1-(3,5-Dimethylphenyl)-2-(4-fluorophenyl)-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole
• Formula: C29 H21 F N2
• Calculated formula: C29 H21 F N2
• SMILES: Fc1ccc(c2nc3c(n2c2cc(cc(c2)C)C)c2ccccc2c2ccccc32)cc1
• Title of publication: 1-(3,5-Dimethyl-phen-yl)-2-(4-fluoro-phen-yl)-1H-phenanthro[9,10-d]imidazole.
• Authors of publication: Sathishkumar, R.; Mohandas, T.; Sakthivel, P.; Jayabharathi, J.
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 3
• Pages of publication: o367
• a: 8.568 ± 0.0002 Å
• b: 10.607 ± 0.0003 Å
• c: 23.69 ± 0.0006 Å
• α: 90°
• β: 93.899 ± 0.001°
• γ: 90°
• Cell volume: 2147.98 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No