Information card for entry 7111540
| Formula |
C18 H6 S5 |
| Calculated formula |
C18 H6 S5 |
| SMILES |
c12ccc3c4c1c1c(s2)ccc2c1c1c4c(ccc1SS2)SS3 |
| Title of publication |
Synthesis of 1,4,5,8,9,12-hexabromododecahydrotriphenylene and its application in constructing polycyclic thioaromatics |
| Authors of publication |
Wei, Junfa; Jia, Xiaowei; Yu, Jun; Shi, Xianying; Zhang, Congjie; Chen, Zhanguo |
| Journal of publication |
Chemical Communications |
| Year of publication |
2009 |
| Journal issue |
31 |
| Pages of publication |
4714 - 4716 |
| a |
6.9134 ± 0.0005 Å |
| b |
19.5698 ± 0.0014 Å |
| c |
10.8775 ± 0.0008 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
1471.66 ± 0.18 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 K |
| Number of distinct elements |
3 |
| Space group number |
62 |
| Hermann-Mauguin space group symbol |
P n m a |
| Hall space group symbol |
-P 2ac 2n |
| Residual factor for all reflections |
0.0453 |
| Residual factor for significantly intense reflections |
0.0417 |
| Weighted residual factors for significantly intense reflections |
0.1198 |
| Weighted residual factors for all reflections included in the refinement |
0.1236 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.001 |
| 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/7111540.html
