Information card for entry 2212657

Structure parameters

• Chemical name: 2-[4-(Diethylamino)phenyl]-1-ethylimidazo[4,5-f][1,10]phenanthroline
• Formula: C33 H25 N5
• Calculated formula: C33 H25 N5
• SMILES: n1cccc2c3n(CC)c(nc3c3cccnc3c12)c1ccc(N(c2ccccc2)c2ccccc2)cc1
• Title of publication: 2-[4-(Diethylamino)phenyl]-1-ethylimidazo[4,5-<i>f</i>][1,10]phenanthroline
• Authors of publication: Min Sun; Guang Chen; Bao-Ping Ling; Yu-Xia Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1210 - o1211
• a: 18.412 ± 0.002 Å
• b: 15.396 ± 0.002 Å
• c: 9.236 ± 0.001 Å
• α: 90°
• β: 101.02 ± 0.01°
• γ: 90°
• Cell volume: 2569.9 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2602
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes