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Information card for entry 7207509
Preview
| Coordinates | 7207509.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H23 N5 S2 |
|---|---|
| Calculated formula | C26 H23 N5 S2 |
| SMILES | S1C(=C(C#N)C#N)C=CC1=c1n(c(cc1)=C1SC(C=C1)=C(C#N)C#N)CC(CC)CCCC |
| Title of publication | Incorporation of pyrrole to oligothiophene-based quinoids endcapped with dicyanomethylene: a new class of solution processable n-channel organic semiconductors for air-stable organic field-effect transistors |
| Authors of publication | Qiao, Yali; Zhang, Jing; Xu, Wei; Zhu, Daoben |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2012 |
| Journal volume | 22 |
| Journal issue | 12 |
| Pages of publication | 5706 |
| a | 10.463 ± 0.002 Å |
| b | 11.737 ± 0.002 Å |
| c | 12.856 ± 0.003 Å |
| α | 91.16 ± 0.03° |
| β | 105.66 ± 0.03° |
| γ | 114.76 ± 0.03° |
| Cell volume | 1364.3 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.0736 |
| Residual factor for significantly intense reflections | 0.0676 |
| Weighted residual factors for significantly intense reflections | 0.1911 |
| Weighted residual factors for all reflections included in the refinement | 0.1971 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7207509.cif |
| 180406 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/75. |
7207509.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207509.cif |
| 37715 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 7207509 via cif-deposit CGI script. |
7207509.cif |
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Users of the data should acknowledge the original authors of the
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