Information card for entry 1566808
| Formula |
C21 H15 B N4 |
| Calculated formula |
C21 H15 B N4 |
| 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 |
9.6002 ± 0.0003 Å |
| b |
9.8523 ± 0.0003 Å |
| c |
10.4405 ± 0.0003 Å |
| α |
112.05 ± 0.002° |
| β |
100.947 ± 0.002° |
| γ |
100.116 ± 0.002° |
| Cell volume |
864.9 ± 0.05 Å3 |
| Cell temperature |
100 K |
| Ambient diffraction temperature |
100 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 |
0.0583 |
| Residual factor for significantly intense reflections |
0.0525 |
| Weighted residual factors for significantly intense reflections |
0.1438 |
| Weighted residual factors for all reflections included in the refinement |
0.1488 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.075 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/1566808.html
