Information card for entry 2230261
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 Å3 |
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 |
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https://www.crystallography.net/2230261.html