Information card for entry 4135275
| Formula |
C53 H34 Cl2 N4 O |
| Calculated formula |
C53 H34 Cl2 N4 O |
| SMILES |
ClCCl.n1c(nc(nc1c1ccccc1)c1ccccc1)c1ccc(cc1)c1c2C3(c4c(N5c6ccccc6Oc6c5c3ccc6)cccc4)c3c(c2ccc1)cccc3 |
| Title of publication |
Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons. |
| Authors of publication |
Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng |
| Journal of publication |
Journal of the American Chemical Society |
| Year of publication |
2020 |
| Journal volume |
142 |
| Journal issue |
41 |
| Pages of publication |
17756 - 17765 |
| a |
10.7802 ± 0.0004 Å |
| b |
16.7891 ± 0.0006 Å |
| c |
23.3522 ± 0.0009 Å |
| α |
88.514 ± 0.001° |
| β |
81.094 ± 0.001° |
| γ |
73.999 ± 0.001° |
| Cell volume |
4013.2 ± 0.3 Å3 |
| Cell temperature |
173 ± 2 K |
| Ambient diffraction temperature |
173.15 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.155 |
| Residual factor for significantly intense reflections |
0.1076 |
| Weighted residual factors for significantly intense reflections |
0.2889 |
| Weighted residual factors for all reflections included in the refinement |
0.3298 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.022 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/4135275.html
