Information card for entry 1577240
| Formula |
C54 H55 B N3 |
| Calculated formula |
C54 H55 B N3 |
| Title of publication |
Methyl-Induced Ring-Locking Strategy for Concentration-Independent MR-TADF Emitters toward High-Performance OLEDs with BT. 2020 Blue Gamut |
| Authors of publication |
Li, Gaoyu; Wang, Yuyuan; Wu, Bo; Bian, Jinkun; Xie, Haozhi; Ma, Zhiwei; Dai, Hui; Yang, Zhan; Ge, Xiangyu; Chi, Zhenguo |
| Journal of publication |
Chemical Science |
| Year of publication |
2026 |
| a |
17.6559 ± 0.0001 Å |
| b |
17.6559 ± 0.0001 Å |
| c |
13.7028 ± 0.0001 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
4271.58 ± 0.05 Å3 |
| Cell temperature |
149.99 ± 0.1 K |
| Ambient diffraction temperature |
149.99 ± 0.1 K |
| Number of distinct elements |
4 |
| Space group number |
76 |
| Hermann-Mauguin space group symbol |
P 41 |
| Hall space group symbol |
P 4w |
| Residual factor for all reflections |
0.0582 |
| Residual factor for significantly intense reflections |
0.0563 |
| Weighted residual factors for significantly intense reflections |
0.1493 |
| Weighted residual factors for all reflections included in the refinement |
0.1528 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.046 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/1577240.html
