Information card for entry 2236667
| Common name |
pyrazine |
| Chemical name |
2-Ethyl-3,5,6-triphenylpyrazine |
| Formula |
C24 H20 N2 |
| Calculated formula |
C24 H20 N2 |
| SMILES |
CCc1nc(c2ccccc2)c(nc1c1ccccc1)c1ccccc1 |
| Title of publication |
2-Ethyl-3,5,6-triphenylpyrazine |
| Authors of publication |
Anuradha, N.; Thiruvalluvar, A.; Chitra, S.; Devanathan, D.; Butcher, R. J. |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2012 |
| Journal volume |
68 |
| Journal issue |
10 |
| Pages of publication |
o3003 |
| a |
9.2327 ± 0.0009 Å |
| b |
9.8708 ± 0.0011 Å |
| c |
10.6787 ± 0.0014 Å |
| α |
79.604 ± 0.01° |
| β |
70.351 ± 0.011° |
| γ |
87.848 ± 0.008° |
| Cell volume |
901.2 ± 0.19 Å3 |
| Cell temperature |
123 ± 2 K |
| Ambient diffraction temperature |
123 ± 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 |
0.0807 |
| Residual factor for significantly intense reflections |
0.0627 |
| Weighted residual factors for significantly intense reflections |
0.1757 |
| Weighted residual factors for all reflections included in the refinement |
0.1981 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.046 |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
Yes |
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https://www.crystallography.net/2236667.html
