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Information card for entry 8000076
Preview
| Coordinates | 8000076.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H12 N2 S2 |
|---|---|
| Calculated formula | C24 H12 N2 S2 |
| SMILES | s1c(cc2C(c3c(c12)sc(c3)c1ccccc1)=C(C#N)C#N)c1ccccc1 |
| 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 | 14.8678 ± 0.0004 Å |
| b | 7.5297 ± 0.0001 Å |
| c | 16.9934 ± 0.0005 Å |
| α | 90° |
| β | 95.7169 ± 0.0012° |
| γ | 90° |
| Cell volume | 1892.95 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0531 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0848 |
| Weighted residual factors for all reflections included in the refinement | 0.0933 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| 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
structural data.