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Information card for entry 4123685
Preview
| Coordinates | 4123685.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H8 S4 |
|---|---|
| Calculated formula | C18 H8 S4 |
| SMILES | s1ccc2c1cc1sc3c(sc4c3cc3c(scc3)c4)c1c2 |
| Title of publication | Dibenzothiopheno[6,5-b:6',5'-f]thieno[3,2-b]thiophene (DBTTT): High-Performance Small-Molecule Organic Semiconductor for Field-Effect Transistors. |
| Authors of publication | Park, Jeong-Il; Chung, Jong Won; Kim, Joo-Young; Lee, Jiyoul; Jung, Ji Young; Koo, Bonwon; Lee, Bang-Lin; Lee, Soon W.; Jin, Yong Wan; Lee, Sang Yoon |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 38 |
| Pages of publication | 12175 - 12178 |
| a | 5.9129 ± 0.0001 Å |
| b | 7.8545 ± 0.0002 Å |
| c | 31.0943 ± 0.0008 Å |
| α | 90° |
| β | 91.527 ± 0.001° |
| γ | 90° |
| Cell volume | 1443.6 ± 0.06 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0941 |
| Residual factor for significantly intense reflections | 0.0738 |
| Weighted residual factors for significantly intense reflections | 0.1626 |
| Weighted residual factors for all reflections included in the refinement | 0.172 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.152 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4123685.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4123685.cif |
| 160528 | 2015-10-06 | cif/ Updating files of 4123685 Original log message: Adding full bibliography for 4123685.cif. |
4123685.cif |
| 136807 | 2015-05-18 | cif/ Adding structures of 4123685 via cif-deposit CGI script. |
4123685.cif |
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Users of the data should acknowledge the original authors of the
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