Information card for entry 2212213
| Chemical name |
2,4,6-Tris(2-pyridylsulfanylmethyl)-1,3,5-triazine |
| Formula |
C21 H18 N6 S3 |
| Calculated formula |
C21 H18 N6 S3 |
| SMILES |
c1(nc(nc(n1)SCc1ccccn1)SCc1ccccn1)SCc1ccccn1 |
| Title of publication |
2,4,6-Tris(2-pyridylsulfanylmethyl)-1,3,5-triazine |
| Authors of publication |
Amoore, Jarrod J. M.; Kepert, Cameron J. |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2007 |
| Journal volume |
63 |
| Journal issue |
2 |
| Pages of publication |
o482 - o484 |
| a |
8.5801 ± 0.0007 Å |
| b |
10.1489 ± 0.0008 Å |
| c |
11.9189 ± 0.0009 Å |
| α |
97.5154 ± 0.0012° |
| β |
98.4549 ± 0.0013° |
| γ |
92.4718 ± 0.0013° |
| Cell volume |
1015.72 ± 0.14 Å3 |
| Cell temperature |
123 ± 2 K |
| Ambient diffraction temperature |
123 ± 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 |
0.0336 |
| Residual factor for significantly intense reflections |
0.0298 |
| Weighted residual factors for significantly intense reflections |
0.0764 |
| Weighted residual factors for all reflections included in the refinement |
0.0801 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.024 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
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https://www.crystallography.net/2212213.html
