Information card for entry 2015894
| Chemical name |
2,3,5,6-tetrakis(phenylsulfanylmethyl)pyrazine |
| Formula |
C32 H28 N2 S4 |
| Calculated formula |
C32 H28 N2 S4 |
| SMILES |
c1ccc(cc1)SCc1nc(CSc2ccccc2)c(nc1CSc1ccccc1)CSc1ccccc1 |
| Title of publication |
2,3,5,6-Tetrakis(phenoxymethyl)pyrazine and 2,3,5,6-tetrakis(phenylsulfanylmethyl)pyrazine |
| Authors of publication |
Tokouré Assoumatine; Gilles Gasser; Helen Stoeckli-Evans |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
2007 |
| Journal volume |
63 |
| Journal issue |
4 |
| Pages of publication |
o219 - o222 |
| a |
6.4278 ± 0.0007 Å |
| b |
9.7152 ± 0.0012 Å |
| c |
12.0602 ± 0.0012 Å |
| α |
91.152 ± 0.01° |
| β |
102.748 ± 0.008° |
| γ |
107.217 ± 0.008° |
| Cell volume |
698.69 ± 0.14 Å3 |
| Cell temperature |
173 ± 2 K |
| Ambient diffraction temperature |
173 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0418 |
| Residual factor for significantly intense reflections |
0.033 |
| Weighted residual factors for significantly intense reflections |
0.0792 |
| Weighted residual factors for all reflections included in the refinement |
0.0821 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.037 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2015894.html
