Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7233993
Preview
| Coordinates | 7233993.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H6 N4 S3 |
|---|---|
| Calculated formula | C16 H6 N4 S3 |
| Title of publication | Cyano substituted benzothiadiazole: a novel acceptor inducing n-type behaviour in conjugated polymers |
| Authors of publication | Abby Casey; Yang Han; Zhuping Fei; Andrew J. P. White; Thomas D. Anthopoulos; Martin Heeney |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 265 - 275 |
| a | 7.1953 ± 0.0004 Å |
| b | 17.8923 ± 0.0009 Å |
| c | 11.5414 ± 0.0005 Å |
| α | 90° |
| β | 103.832 ± 0.005° |
| γ | 90° |
| Cell volume | 1442.76 ± 0.13 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0501 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.0821 |
| Weighted residual factors for all reflections included in the refinement | 0.0885 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218575 (current) | 2019-09-20 | cif/ Adding structures of 7233993 via cif-deposit CGI script. |
7233993.cif |
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.