Information card for entry 2229759

Structure parameters

• Chemical name: 2-(4-Methylphenyl)-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline
• Formula: C20 H14 N4
• Calculated formula: C20 H14 N4
• SMILES: c1ccc2c(c3c(cccn3)c3c2[nH]c(c2ccc(cc2)C)n3)n1
• Title of publication: 2-(4-Methylphenyl)-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline
• Authors of publication: Ma, Ling; Lu, Liping; Zhu, Miaoli
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o864 - o865
• a: 9.1609 ± 0.0008 Å
• b: 15.5398 ± 0.0013 Å
• c: 11.725 ± 0.001 Å
• α: 90°
• β: 108.892 ± 0.001°
• γ: 90°
• Cell volume: 1579.2 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• 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: 0.0513
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes