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Information card for entry 7236811
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| Coordinates | 7236811.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | U-BBTT-8 |
|---|---|
| Chemical name | 2,10-dioctyl-bis(benzo[4,5]thieno)[2,3-b:3',2'-d]thiophene |
| Formula | C32 H40 S3 |
| Calculated formula | C32 H40 S3 |
| Title of publication | Solution-grown unidirectionally oriented crystalline thin films of a U-shaped thienoacene-based semiconductor for high-performance organic field-effect transistors |
| Authors of publication | Mori, Tatsuya; Oyama, Tatsuya; Komiyama, Hideaki; Yasuda, Takuma |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2017 |
| Journal volume | 5 |
| Journal issue | 24 |
| Pages of publication | 5872 |
| a | 7.894 ± 0.002 Å |
| b | 10.124 ± 0.003 Å |
| c | 17.373 ± 0.005 Å |
| α | 90.685 ± 0.008° |
| β | 91.955 ± 0.008° |
| γ | 90.136 ± 0.01° |
| Cell volume | 1387.5 ± 0.7 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0613 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.123 |
| Weighted residual factors for all reflections included in the refinement | 0.1293 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.132 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7236811.cif |
| 236531 | 2019-11-24 | cif/ Adding structures of 7236811 via cif-deposit CGI script. |
7236811.cif |
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Users of the data should acknowledge the original authors of the
structural data.