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Information card for entry 8000079
Preview
| Coordinates | 8000079.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H11 F5 O2 S2 |
|---|---|
| Calculated formula | C23 H11 F5 O2 S2 |
| SMILES | s1c(cc2c1c1sc(cc1C12OCCO1)c1ccccc1)c1c(F)c(F)c(F)c(F)c1F |
| Title of publication | Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties |
| Authors of publication | Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S. |
| Journal of publication | The Journal of Physical Chemistry Letters |
| Year of publication | 2011 |
| Journal volume | 2 |
| Journal issue | 6 |
| Pages of publication | 648 |
| a | 8.3262 ± 0.0003 Å |
| b | 9.9514 ± 0.0004 Å |
| c | 12.7866 ± 0.0005 Å |
| α | 112.274 ± 0.002° |
| β | 99.195 ± 0.002° |
| γ | 91.288 ± 0.003° |
| Cell volume | 963.8 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0598 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.0893 |
| Weighted residual factors for all reflections included in the refinement | 0.0988 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
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