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Information card for entry 7236452
Preview
| Coordinates | 7236452.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H75 N3 S2 Si2 |
|---|---|
| Calculated formula | C40 H75 N3 S2 Si2 |
| Title of publication | Synthesis of low band gap polymers based on pyrrolo[3,2-d:4,5-d′]bisthiazole (PBTz) and thienylenevinylene (TV) for organic thin-film transistors (OTFTs) |
| Authors of publication | Patra, Dhananjaya; Lee, Jaehyuk; Lee, Jongbok; Sredojevic, Dusan N.; White, Andrew J. P.; Bazzi, Hassan S.; Brothers, Edward N.; Heeney, Martin; Fang, Lei; Yoon, Myung-Han; Al-Hashimi, Mohammed |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2017 |
| Journal volume | 5 |
| Journal issue | 9 |
| Pages of publication | 2247 |
| a | 7.6455 ± 0.0003 Å |
| b | 11.9092 ± 0.0003 Å |
| c | 25.1027 ± 0.0006 Å |
| α | 83.133 ± 0.002° |
| β | 82.326 ± 0.002° |
| γ | 74.997 ± 0.003° |
| Cell volume | 2179.32 ± 0.12 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.1175 |
| Residual factor for significantly intense reflections | 0.0794 |
| Weighted residual factors for significantly intense reflections | 0.1612 |
| Weighted residual factors for all reflections included in the refinement | 0.1774 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| 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. |
7236452.cif |
| 235534 | 2019-11-23 | cif/ Adding structures of 7236452 via cif-deposit CGI script. |
7236452.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.