Information card for entry 1566815
| Formula |
C20 H14 B Cl3 N4 S |
| Calculated formula |
C20 H14 B Cl3 N4 S |
| Title of publication |
Design and Synthesis of Stable Four-Coordinated Benzotriazole-Borane with Tunable Fluorescence Emission |
| Authors of publication |
Tang, Qi; Shi, Xiaodong; Richardson, David; Wojtas, Lukasz; Shan, Chuan; He, Ying; Lan, Yu; Yuan, Teng; Ye, Xiaohan; Li, Shi-Jun; Zhao, Kai |
| Journal of publication |
Chemical Science |
| Year of publication |
2022 |
| a |
9.5849 ± 0.0006 Å |
| b |
9.6966 ± 0.0006 Å |
| c |
12.5042 ± 0.0007 Å |
| α |
102.614 ± 0.002° |
| β |
92.073 ± 0.002° |
| γ |
115.981 ± 0.002° |
| Cell volume |
1007.91 ± 0.11 Å3 |
| Cell temperature |
100 K |
| Ambient diffraction temperature |
100 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 |
0.0271 |
| Residual factor for significantly intense reflections |
0.0259 |
| Weighted residual factors for significantly intense reflections |
0.0654 |
| Weighted residual factors for all reflections included in the refinement |
0.0663 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.078 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/1566815.html
