Information card for entry 2229687

Structure parameters

• Common name: 1H-imidazole
• Chemical name: 1,2-Diphenyl-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline
• Formula: C25 H16 N4
• Calculated formula: C25 H16 N4
• SMILES: n1(c(nc2c1c1cccnc1c1ncccc21)c1ccccc1)c1ccccc1
• Title of publication: 1,2-Diphenyl-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline
• Authors of publication: Rosepriya, S.; Thiruvalluvar, A.; Jayabharathi, J.; Venkatesh Perumal, M.; Butcher, R. J.; Jasinski, J. P.; Golen, J. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o989
• a: 8.8693 ± 0.0007 Å
• b: 10.0637 ± 0.0006 Å
• c: 11.896 ± 0.0009 Å
• α: 100.219 ± 0.006°
• β: 110.31 ± 0.007°
• γ: 102.475 ± 0.006°
• Cell volume: 934.63 ± 0.14 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 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: 0.0458
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes