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Information card for entry 7235744
Preview
| Coordinates | 7235744.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H31 N3 O2 S3 |
|---|---|
| Calculated formula | C28 H31 N3 O2 S3 |
| Title of publication | A high voltage solar cell using a donor–acceptor conjugated polymer based on pyrrolo[3,4-f]-2,1,3-benzothiadiazole-5,7-dione |
| Authors of publication | Li, Hairong; Sun, Shuangyong; Mhaisalkar, Subodh; Zin, Melvin T.; Lam, Yeng Ming; Grimsdale, Andrew C. |
| Journal of publication | J. Mater. Chem. A |
| Year of publication | 2014 |
| Journal volume | 2 |
| Journal issue | 42 |
| Pages of publication | 17925 |
| a | 7.8761 ± 0.0006 Å |
| b | 10.7803 ± 0.0008 Å |
| c | 31.713 ± 0.002 Å |
| α | 94.262 ± 0.003° |
| β | 93.003 ± 0.003° |
| γ | 90.461 ± 0.004° |
| Cell volume | 2681.3 ± 0.3 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1355 |
| Residual factor for significantly intense reflections | 0.0703 |
| Weighted residual factors for significantly intense reflections | 0.0808 |
| Weighted residual factors for all reflections included in the refinement | 0.0878 |
| Goodness-of-fit parameter for significantly intense reflections | 3.49 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.73 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7235744.cif |
| 233290 | 2019-11-23 | cif/ Adding structures of 7235744 via cif-deposit CGI script. |
7235744.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.