Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7237031
Preview
Coordinates | 7237031.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C8 H4 N2 O2 S |
---|---|
Calculated formula | C8 H4 N2 O2 S |
Title of publication | 3,4-Phenylenedioxythiophenes (PheDOTs) functionalized with electron-withdrawing groups and their analogs for organic electronics |
Authors of publication | Krompiec, Michal P.; Baxter, Sean N.; Klimareva, Elena L.; Yufit, Dmitry S.; Congrave, Daniel G.; Britten, Thomas K.; Perepichka, Igor F. |
Journal of publication | Journal of Materials Chemistry C |
Year of publication | 2018 |
Journal volume | 6 |
Journal issue | 14 |
Pages of publication | 3743 |
a | 17.3384 ± 0.0003 Å |
b | 6.7457 ± 0.0001 Å |
c | 14.5495 ± 0.0004 Å |
α | 90° |
β | 114.801 ± 0.0015° |
γ | 90° |
Cell volume | 1544.75 ± 0.06 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0735 |
Residual factor for significantly intense reflections | 0.0433 |
Weighted residual factors for significantly intense reflections | 0.085 |
Weighted residual factors for all reflections included in the refinement | 0.0952 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7237031.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.