Information card for entry 2211282

Structure parameters

• Chemical name: 1,4-Bis[4-(di-p-tolylamino)benzyl]-2,3-diaza-1,3-butadiene
• Formula: C42 H38 N4
• Calculated formula: C42 H38 N4
• SMILES: Cc1ccc(cc1)N(c1ccc(cc1)C)c1ccc(cc1)/C=N/N=C/c1ccc(cc1)N(c1ccc(cc1)C)c1ccc(cc1)C.Cc1ccc(cc1)N(c1ccc(cc1)C)c1ccc(cc1)/C=N/N=C/c1ccc(cc1)N(c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: 1,4-Bis[4-(di-<i>p</i>-tolylamino)benzyl]-2,3-diaza-1,3-butadiene
• Authors of publication: Zhou, Dan; Zhou, Bin; Zhang, Jia-Xin; Zhao, Bing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5594 - o5595
• a: 11.142 ± 0.004 Å
• b: 12.562 ± 0.005 Å
• c: 13.848 ± 0.005 Å
• α: 72.191 ± 0.006°
• β: 84.891 ± 0.007°
• γ: 68.143 ± 0.007°
• Cell volume: 1712 ± 1.1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1222
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes