Information card for entry 2229744

Structure parameters

• Common name: 7-(4-Methoxyphenyl)-4,9-dimethyl-<i>N</i>-(4-methylphenyl)-5,12-\ diazatetraphen-6-amine
• Chemical name: 7-(4-Methoxyphenyl)-4,9-dimethyl-<i>N</i>-(4-methylphenyl)-5,12- diazabenz[<i>a</i>]anthracen-6-amine
• Formula: C32 H27 N3 O
• Calculated formula: C32 H27 N3 O
• SMILES: c12c(nc3c(c1c1ccc(OC)cc1)c(nc1c3cccc1C)Nc1ccc(cc1)C)ccc(c2)C
• Title of publication: 7-(4-Methoxyphenyl)-4,9-dimethyl-<i>N</i>-(4-methylphenyl)-5,12-diazatetraphen-6-amine
• Authors of publication: Vennila, K. N.; Prabha, K.; Prasad, K. J. Rajendra; Velmurugan, D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o762 - o763
• a: 8.3816 ± 0.0006 Å
• b: 23.1651 ± 0.0013 Å
• c: 12.8548 ± 0.0007 Å
• α: 90°
• β: 91.171 ± 0.003°
• γ: 90°
• Cell volume: 2495.4 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0892
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes