Information card for entry 1554716
| Formula |
C12 H4 F4 N2 S2 |
| Calculated formula |
C12 H4 F4 N2 S2 |
| Title of publication |
Synthesis, characterization and crystal structures of novel fluorinated di(thiazolyl)benzene derivatives |
| Authors of publication |
Barłóg, Maciej; Kulai, Ihor; Ji, Xiaozhou; Bhuvanesh, Nattamai; Dey, Somnath; Sliwinski, Eric Pierre; Bazzi, Hassan S.; Fang, Lei; Al-Hashimi, Mohammed |
| Journal of publication |
Organic Chemistry Frontiers |
| Year of publication |
2019 |
| Journal volume |
6 |
| Journal issue |
6 |
| Pages of publication |
780 |
| a |
5.0225 ± 0.0008 Å |
| b |
7.1949 ± 0.0014 Å |
| c |
17.29 ± 0.003 Å |
| α |
84.549 ± 0.003° |
| β |
83.096 ± 0.002° |
| γ |
70.873 ± 0.002° |
| Cell volume |
584.99 ± 0.18 Å3 |
| Cell temperature |
110 K |
| Ambient diffraction temperature |
110 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0294 |
| Residual factor for significantly intense reflections |
0.0266 |
| Weighted residual factors for significantly intense reflections |
0.066 |
| Weighted residual factors for all reflections included in the refinement |
0.0681 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.04 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/1554716.html
