Information card for entry 7132218
| Formula |
C104 H120 Br Cl F4 N8 O2 S4 |
| Calculated formula |
C104 H120 Br Cl F4 N8 O2 S4 |
| Title of publication |
Central Units Hetero Di-Halogenation of Acceptors Enable Organic Solar Cells with 19% Efficiency |
| Authors of publication |
Liang, Huazhe; Chen, Hongbin; Zou, Yalu; Zhang, Yunxin; Guo, Yaxiao; Cao, Xiangjian; Bi, Xingqi; Yao, Zhaoyang; Wan, Xiangjian; Chen, Yongsheng |
| Journal of publication |
Chemical Communications |
| Year of publication |
2023 |
| a |
15.5405 ± 0.0007 Å |
| b |
17.0281 ± 0.0008 Å |
| c |
19.4276 ± 0.0009 Å |
| α |
97.573 ± 0.002° |
| β |
102.34 ± 0.002° |
| γ |
102.145 ± 0.002° |
| Cell volume |
4825 ± 0.4 Å3 |
| Cell temperature |
193 K |
| Ambient diffraction temperature |
193 K |
| Number of distinct elements |
8 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1824 |
| Residual factor for significantly intense reflections |
0.1507 |
| Weighted residual factors for significantly intense reflections |
0.3371 |
| Weighted residual factors for all reflections included in the refinement |
0.3506 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.179 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.34139 Å |
| Diffraction radiation type |
GaKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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