Information card for entry 1566814
| Formula |
C24 H14 B F6 N3 O4 |
| Calculated formula |
C24 H14 B F6 N3 O4 |
| 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 |
11.8628 ± 0.0005 Å |
| b |
19.2303 ± 0.0008 Å |
| c |
11.1122 ± 0.0004 Å |
| α |
90° |
| β |
114.593 ± 0.002° |
| γ |
90° |
| Cell volume |
2305.02 ± 0.16 Å3 |
| Cell temperature |
100 K |
| Ambient diffraction temperature |
100 K |
| Number of distinct elements |
6 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/c 1 |
| Hall space group symbol |
-P 2ybc |
| Residual factor for all reflections |
0.0375 |
| Residual factor for significantly intense reflections |
0.035 |
| Weighted residual factors for significantly intense reflections |
0.0845 |
| Weighted residual factors for all reflections included in the refinement |
0.0864 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.048 |
| 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/1566814.html
