Information card for entry 1576185
| Formula |
C111 H112 B2 N4 P2 S2 |
| Calculated formula |
C111 H112 B2 N4 P2 S2 |
| Title of publication |
Phenphosphine-X (O, S, Se) Locking Multi-resonance Thermally Activated Delayed Fluorescence Materials |
| Authors of publication |
Hong, Xianfang; Wei, Yi; Xing, Hao-Ran; Wang, Yu; Xi, Jia-Qi; Wu, Chen-Yang; Yuan, Li; Li, Cheng-Hui; Zheng, You-Xuan |
| Journal of publication |
Chemical Science |
| Year of publication |
2025 |
| a |
11.4849 ± 0.001 Å |
| b |
14.1923 ± 0.001 Å |
| c |
16.0109 ± 0.0011 Å |
| α |
66.987 ± 0.002° |
| β |
69.582 ± 0.002° |
| γ |
75.458 ± 0.002° |
| Cell volume |
2231.1 ± 0.3 Å3 |
| Cell temperature |
193 K |
| Ambient diffraction temperature |
193 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0993 |
| Residual factor for significantly intense reflections |
0.0657 |
| Weighted residual factors for significantly intense reflections |
0.1672 |
| Weighted residual factors for all reflections included in the refinement |
0.1925 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.05 |
| Diffraction radiation wavelength |
1.34139 Å |
| Diffraction radiation type |
GaKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/1576185.html
