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Information card for entry 7237624
Preview
| Coordinates | 7237624.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2,5-TFBP |
|---|---|
| Formula | C12 H6 F4 |
| Calculated formula | C12 H6 F4 |
| Title of publication | Enhancing charge mobilities in selectively fluorinated oligophenyl organic semiconductors: a design approach based on experimental and computational perspectives |
| Authors of publication | Maiti, Buddhadev; Wang, Kunlun; Bhandari, Srijana; Bunge, Scott D.; Twieg, Robert J.; Dunietz, Barry D. |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2019 |
| Journal volume | 7 |
| Journal issue | 13 |
| Pages of publication | 3881 |
| a | 3.7497 ± 0.0006 Å |
| b | 10.4225 ± 0.0017 Å |
| c | 23.936 ± 0.004 Å |
| α | 90° |
| β | 90.849 ± 0.002° |
| γ | 90° |
| Cell volume | 935.3 ± 0.3 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0499 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.1108 |
| Weighted residual factors for all reflections included in the refinement | 0.116 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237815 (current) | 2019-11-24 | cif/ Adding structures of 7237623, 7237624, 7237625 via cif-deposit CGI script. |
7237624.cif |
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Users of the data should acknowledge the original authors of the
structural data.