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Information card for entry 4517419
Preview
| Coordinates | 4517419.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H4 F14 S2 |
|---|---|
| Calculated formula | C26 H4 F14 S2 |
| SMILES | c1(ccc(c2c(c(c(c3ccc(c4c(c(c(c(c4F)F)F)F)F)s3)c(c2F)F)F)F)s1)c1c(c(c(c(c1F)F)F)F)F |
| Title of publication | Fluorinated Thiophene-Phenylene Co-Oligomers for Optoelectronic Devices. |
| Authors of publication | Sosorev, Andrey Yu; Trukhanov, Vasiliy A.; Maslennikov, Dmitry R.; Borshchev, Oleg V.; Polyakov, Roman A.; Skorotetcky, Maxim S.; Surin, Nikolay M.; Kazantsev, Maxim S.; Dominskiy, Dmitry I.; Tafeenko, Viktor A.; Ponomarenko, Sergey A.; Paraschuk, Dmitry Yu |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2020 |
| Journal volume | 12 |
| Journal issue | 8 |
| Pages of publication | 9507 - 9519 |
| a | 7.5177 ± 0.0004 Å |
| b | 7.727 ± 0.0004 Å |
| c | 11.325 ± 0.0006 Å |
| α | 72.545 ± 0.003° |
| β | 77.25 ± 0.004° |
| γ | 63.092 ± 0.003° |
| Cell volume | 556.83 ± 0.05 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.049 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.1049 |
| Weighted residual factors for all reflections included in the refinement | 0.1092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4517419.html
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Users of the data should acknowledge the original authors of the
structural data.