Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1565981
Preview
Coordinates | 1565981.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C100 H108 F6 N8 O2 S5 |
---|---|
Calculated formula | C100 H108 F6 N8 O2 S5 |
Title of publication | Non-fullerene acceptors with direct and indirect hexa-fluorination afford >17% efficiency in polymer solar cells |
Authors of publication | Li, Guoping; Feng, Liang-Wen; Mukherjee, Subhrangsu; Jones, Leighton O.; Jacobberger, Robert M.; Huang, Wei; Young, Ryan M.; Pankow, Robert M.; Zhu, Weigang; Lu, Norman; Kohlstedt, Kevin L.; Sangwan, Vinod K.; Wasielewski, Michael R.; Hersam, Mark C.; Schatz, George C.; DeLongchamp, Dean M.; Facchetti, Antonio; Marks, Tobin J. |
Journal of publication | Energy & Environmental Science |
Year of publication | 2022 |
Journal volume | 15 |
Journal issue | 2 |
Pages of publication | 645 - 659 |
a | 16.0665 ± 0.0019 Å |
b | 17.2536 ± 0.001 Å |
c | 17.4364 ± 0.001 Å |
α | 111.025 ± 0.006° |
β | 94.188 ± 0.007° |
γ | 96.672 ± 0.008° |
Cell volume | 4446.7 ± 0.7 Å3 |
Cell temperature | 100.01 ± 0.1 K |
Ambient diffraction temperature | 100.01 ± 0.1 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 | 0.2145 |
Residual factor for significantly intense reflections | 0.1329 |
Weighted residual factors for significantly intense reflections | 0.3599 |
Weighted residual factors for all reflections included in the refinement | 0.405 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.369 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/1565981.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.