Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7132218
Preview
Coordinates | 7132218.cif |
---|---|
Original paper (by DOI) | HTML |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7132218.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.