Information card for entry 2230261

Structure parameters

• Chemical name: (<i>E</i>,<i>E</i>,<i>E</i>,<i>E</i>)-2,3,5,6-Tetrakis{2- [4-(dimethylamino)phenyl]ethenyl}pyrazine
• Formula: C44 H48 N6
• Calculated formula: C44 H48 N6
• SMILES: CN(c1ccc(cc1)/C=C/c1nc(/C=C/c2ccc(cc2)N(C)C)c(nc1/C=C/c1ccc(cc1)N(C)C)/C=C/c1ccc(cc1)N(C)C)C
• Title of publication: (<i>E</i>,<i>E</i>,<i>E</i>,<i>E</i>)-2,3,5,6-Tetrakis{2-[4-(dimethylamino)phenyl]ethenyl}pyrazine
• Authors of publication: Schmitt, Volker; Schollmeyer, Dieter; Detert, Heiner
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1553
• a: 10.763 ± 0.002 Å
• b: 16.6751 ± 0.0019 Å
• c: 10.755 ± 0.003 Å
• α: 90°
• β: 101.109 ± 0.009°
• γ: 90°
• Cell volume: 1894.1 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.1198
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.2131
• Weighted residual factors for all reflections included in the refinement: 0.239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes