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Information card for entry 1559498
Preview
| Coordinates | 1559498.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C8 H2 Cl4 S2 |
|---|---|
| Calculated formula | C8 H2 Cl4 S2 |
| SMILES | c1c(c(c(s1)c1c(c(cs1)Cl)Cl)Cl)Cl |
| Title of publication | Direct Arylation Polycondensation of Chlorinated Thiophene Derivatives to High-Mobility Conjugated Polymers |
| Authors of publication | Sui, Ying; Shi, Yibo; Deng, Yunfeng; Li, Riqing; Bai, Junhua; Wang, Zhongli; Dang, Yanfeng; Han, Yang; Kirby, Nigel; Ye, Long; Geng, Yanhou |
| Journal of publication | Macromolecules |
| Year of publication | 2020 |
| Journal volume | 53 |
| Journal issue | 22 |
| Pages of publication | 10147 - 10154 |
| a | 10.4092 ± 0.0003 Å |
| b | 3.8459 ± 0.0001 Å |
| c | 13.332 ± 0.0004 Å |
| α | 90° |
| β | 106.08 ± 0.001° |
| γ | 90° |
| Cell volume | 512.84 ± 0.03 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 169.97 K |
| Number of distinct elements | 4 |
| 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 | 0.0277 |
| Residual factor for significantly intense reflections | 0.0275 |
| Weighted residual factors for significantly intense reflections | 0.0749 |
| Weighted residual factors for all reflections included in the refinement | 0.0752 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1559498.cif |
| 259532 | 2020-12-04 | cif/ Updating files of 1559498, 1559499 Original log message: Adding full bibliography for 1559498--1559499.cif. |
1559498.cif |
| 259103 | 2020-11-12 | cif/ Adding structures of 1559498 via cif-deposit CGI script. |
1559498.cif |
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Users of the data should acknowledge the original authors of the
structural data.