Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7237748
Preview
| Coordinates | 7237748.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 2-hexylthieno[5,4-b][1]benzothieno[3,2-b][1]benzothiophene (BTBTT6-syn) |
|---|---|
| Formula | C22 H20 S3 |
| Calculated formula | C22 H20 S3 |
| Title of publication | Five-ring-fused asymmetric thienoacenes for high mobility organic thin-film transistors: the influence of the position of the S atom in the terminal thiophene ring |
| Authors of publication | He, Keqiang; Zhou, Shujun; Li, Weili; Tian, Hongkun; Tang, Qingxin; Zhang, Jidong; Yan, Donghang; Geng, Yanhou; Wang, Fosong |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2019 |
| Journal volume | 7 |
| Journal issue | 12 |
| Pages of publication | 3656 |
| a | 20.4984 ± 0.0012 Å |
| b | 15.432 ± 0.001 Å |
| c | 6.0388 ± 0.0004 Å |
| α | 90° |
| β | 96.341 ± 0.003° |
| γ | 90° |
| Cell volume | 1898.6 ± 0.2 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 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 | 0.1117 |
| Residual factor for significantly intense reflections | 0.0794 |
| Weighted residual factors for significantly intense reflections | 0.2059 |
| Weighted residual factors for all reflections included in the refinement | 0.219 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
7237748.cif |
| 238580 | 2019-11-24 | cif/ Adding structures of 7237748, 7237749 via cif-deposit CGI script. |
7237748.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.