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Information card for entry 1548721
Preview
| Coordinates | 1548721.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H5 Br2 F2 N S |
|---|---|
| Calculated formula | C13 H5 Br2 F2 N S |
| SMILES | Brc1sc(cc1)/C(=C/c1cc(F)c(Br)cc1F)C#N |
| Title of publication | Cyanostyrylthiophene-Based Ambipolar Conjugated Polymers: Synthesis, Properties, and Analyses of Backbone Fluorination Effect |
| Authors of publication | Lin, Zuzhang; Liu, Xiaotong; Zhang, Weifeng; Huang, Jianyao; Wang, Qiang; Shi, Keli; Chen, Zhihui; Zhou, Yankai; Wang, Liping; Yu, Gui |
| Journal of publication | Macromolecules |
| Year of publication | 2018 |
| Journal volume | 51 |
| Journal issue | 3 |
| Pages of publication | 966 |
| a | 3.963 ± 0.003 Å |
| b | 5.849 ± 0.005 Å |
| c | 27.67 ± 0.03 Å |
| α | 90° |
| β | 91.654 ± 0.012° |
| γ | 90° |
| Cell volume | 641.1 ± 1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0391 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0916 |
| Weighted residual factors for all reflections included in the refinement | 0.0944 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227641 (current) | 2019-11-12 | cif/ Updating files of 1548721 Original log message: Adding full bibliography for 1548721.cif. |
1548721.cif |
| 205390 | 2018-01-19 | cif/ Adding structures of 1548721 via cif-deposit CGI script. |
1548721.cif |
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Users of the data should acknowledge the original authors of the
structural data.