Information card for entry 2228806

Structure parameters

• Chemical name: 2,9-Dimethyl-7-phenyl-<i>N</i>-(4-methylphenyl)dibenzo[<i>b</i>,<i>h</i>][1,6]naphthyridin-6-amine
• Formula: C31 H25 N3
• Calculated formula: C31 H25 N3
• SMILES: c12c(nc3c(c2c2ccccc2)cc(cc3)C)c2c(nc1Nc1ccc(cc1)C)ccc(c2)C
• Title of publication: 2,9-Dimethyl-7-phenyl-<i>N</i>-(4-methylphenyl)dibenzo[<i>b</i>,<i>h</i>][1,6]naphthyridin-6-amine
• Authors of publication: Vennila, K. N.; Manoj, M.; Prabha, K.; Prasad, K. J. Rajendra; Velmurugan, D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o102 - o103
• a: 11.939 ± 0.0004 Å
• b: 10.5595 ± 0.0004 Å
• c: 19.6084 ± 0.0007 Å
• α: 90°
• β: 107.369 ± 0.002°
• γ: 90°
• Cell volume: 2359.31 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0628
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes