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Information card for entry 1559697
Preview
| Coordinates | 1559697.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H6 N2 S2 |
|---|---|
| Calculated formula | C12 H6 N2 S2 |
| SMILES | c1cc(c(/C=C/c2c(ccs2)C#N)s1)C#N |
| Title of publication | Molecular engineering of (E)-1,2-bis(3-cyanothiophene-2-yl)ethene-based polymeric semiconductors for unipolar n-channel field-effect transistors |
| Authors of publication | Wei, Congyuan; Tang, Zhonghai; Zhang, Weifeng; Huang, Jianyao; Zhou, Yankai; Wang, Liping; Yu, Gui |
| Journal of publication | Polymer Chemistry |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 46 |
| Pages of publication | 7340 - 7348 |
| a | 6.8808 ± 0.0002 Å |
| b | 11.0218 ± 0.0003 Å |
| c | 7.1787 ± 0.0002 Å |
| α | 90° |
| β | 94.454 ± 0.003° |
| γ | 90° |
| Cell volume | 542.78 ± 0.03 Å3 |
| Cell temperature | 170.01 ± 0.1 K |
| Ambient diffraction temperature | 170.01 ± 0.1 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 | 0.0279 |
| Residual factor for significantly intense reflections | 0.0261 |
| Weighted residual factors for significantly intense reflections | 0.0787 |
| Weighted residual factors for all reflections included in the refinement | 0.0798 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
1559697.cif |
| 260828 | 2021-01-07 | cif/ Updating files of 1559697, 1559698 Original log message: Adding full bibliography for 1559697--1559698.cif. |
1559697.cif |
| 259466 | 2020-12-02 | cif/ Adding structures of 1559697, 1559698 via cif-deposit CGI script. |
1559697.cif |
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Users of the data should acknowledge the original authors of the
structural data.