Information card for entry 1576437
| Formula |
C133 H144 B N7 |
| Calculated formula |
C133 H144 B N7 |
| Title of publication |
A TADF sensitizer moiety decorated MR emitter for enhancing spin-flip and anti-ACQ. |
| Authors of publication |
Wang, Xingtian; Chen, Jianxing; Ni, Songqian; Hu, Yu; Dai, Haorun; Xiao, Zezhu; Zhu, Weiguo; Chou, Pi-Tai; Wu, Xiugang |
| Journal of publication |
Chemical science |
| Year of publication |
2026 |
| Journal volume |
17 |
| Journal issue |
13 |
| Pages of publication |
6702 - 6709 |
| a |
14.1966 ± 0.0006 Å |
| b |
18.2589 ± 0.0008 Å |
| c |
27.0023 ± 0.0012 Å |
| α |
103.529 ± 0.002° |
| β |
98.747 ± 0.003° |
| γ |
105.155 ± 0.002° |
| Cell volume |
6396.7 ± 0.5 Å3 |
| Cell temperature |
150 K |
| Ambient diffraction temperature |
150 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 |
0.1511 |
| Residual factor for significantly intense reflections |
0.1014 |
| Weighted residual factors for significantly intense reflections |
0.2718 |
| Weighted residual factors for all reflections included in the refinement |
0.3057 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.057 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/1576437.html
