Information card for entry 7055336
| Formula |
C17 H17 F6 N5 O6 S3 |
| Calculated formula |
C17.0002 H17 F6.0006 N5 O6.0006 S3.0002 |
| Title of publication |
Alkyl-functionalization of 3,5-bis(2-pyridyl)-1,2,4,6-thiatriazine |
| Authors of publication |
Kleisath, Elizabeth; Yutronkie, Nathan J.; Korobkov, Ilia; Gabidullin, Bulat M.; Brusso, Jaclyn L. |
| Journal of publication |
New J. Chem. |
| Year of publication |
2016 |
| Journal volume |
40 |
| Journal issue |
5 |
| Pages of publication |
4472 |
| a |
8.938 ± 0.004 Å |
| b |
11.927 ± 0.005 Å |
| c |
12.9 ± 0.005 Å |
| α |
96.902 ± 0.019° |
| β |
108.004 ± 0.018° |
| γ |
107.987 ± 0.017° |
| Cell volume |
1208.1 ± 0.9 Å3 |
| Cell temperature |
200 ± 2 K |
| Ambient diffraction temperature |
200 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0685 |
| Residual factor for significantly intense reflections |
0.0485 |
| Weighted residual factors for significantly intense reflections |
0.1266 |
| Weighted residual factors for all reflections included in the refinement |
0.1422 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.026 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/7055336.html
