Information card for entry 1576500
| Formula |
C42 H26 B N3 |
| Calculated formula |
C42 H26 B N3 |
| Title of publication |
Single-B/N MR-TADF Emitters Enhancing Electroluminescence Efficiency via "Terminal Engineering" Strategy |
| Authors of publication |
Qi, Hengxuan; Li, Huaxin; Zhao, Zujin; Liu, Hao; Wu, Lin; Li, Deli; zhang, jiasen; Xin, Ziru; Xia, Chao; Peng, Ruixiang; Wang, Wenjun; Li, wei; Ge, Ziyi |
| Journal of publication |
Chemical Science |
| Year of publication |
2026 |
| a |
9.6464 ± 0.0003 Å |
| b |
13.1116 ± 0.0004 Å |
| c |
13.2323 ± 0.0005 Å |
| α |
60.773 ± 0.002° |
| β |
76.19 ± 0.002° |
| γ |
83.758 ± 0.002° |
| Cell volume |
1418.27 ± 0.09 Å3 |
| Cell temperature |
170 K |
| Ambient diffraction temperature |
170 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 |
0.0751 |
| Residual factor for significantly intense reflections |
0.0626 |
| Weighted residual factors for significantly intense reflections |
0.1538 |
| Weighted residual factors for all reflections included in the refinement |
0.1625 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.151 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/1576500.html
