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Information card for entry 4003018
Preview
| Coordinates | 4003018.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Organic compound |
|---|---|
| Formula | C28 H6 F10 O2 S2 |
| Calculated formula | C28 H6 F10 O2 S2 |
| SMILES | c1(c(c(c(c(c1F)F)F)F)F)C(=O)c1cc2c(cc1)c1sc3cc(ccc3c1s2)C(=O)c1c(c(c(c(c1F)F)F)F)F |
| Title of publication | High Electron Mobility in [1]Benzothieno[3,2-b][1]benzothiophene-Based Field-Effect Transistors: Toward n-Type BTBTs |
| Authors of publication | Usta, Hakan; Kim, Dojeon; Ozdemir, Resul; Zorlu, Yunus; Kim, Sanghyo; Ruiz Delgado, M. Carmen; Harbuzaru, Alexandra; Kim, Seonhyoung; Demirel, Gökhan; Hong, Jongin; Ha, Young-Geun; Cho, Kilwon; Facchetti, Antonio; Kim, Myung-Gil |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2019 |
| Journal volume | 31 |
| Journal issue | 14 |
| Pages of publication | 5254 |
| a | 43.611 ± 0.003 Å |
| b | 7.3973 ± 0.0005 Å |
| c | 7.1455 ± 0.0005 Å |
| α | 90° |
| β | 96.283 ± 0.004° |
| γ | 90° |
| Cell volume | 2291.3 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0488 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.0986 |
| Weighted residual factors for all reflections included in the refinement | 0.104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301811 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 4/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
4003018.cif |
| 220441 | 2019-10-29 | cif/ Adding structures of 4003018 via cif-deposit CGI script. |
4003018.cif |
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