Information card for entry 2224813

Structure parameters

• Chemical name: 3-(1<i>H</i>-Imidazo[4,5-<i>f</i>][1,10]phenanthrolin-2-yl)benzonitrile methanol solvate
• Formula: C21 H15 N5 O
• Calculated formula: C21 H15 N5 O
• SMILES: C(#N)c1cccc(c1)c1nc2c3cccnc3c3c(cccn3)c2[nH]1.CO
• Title of publication: 3-(1<i>H</i>-Imidazo[4,5-<i>f</i>][1,10]phenanthrolin-2-yl)benzonitrile methanol solvate
• Authors of publication: Wang, Wen-Lan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o55
• a: 7.115 ± 0.001 Å
• b: 18.385 ± 0.002 Å
• c: 13.5576 ± 0.0012 Å
• α: 90°
• β: 99.956 ± 0.019°
• γ: 90°
• Cell volume: 1746.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1321
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes