Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1542533
Preview
| Coordinates | 1542533.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | P662T-3H |
|---|---|
| Chemical name | 3,7-bis(3-hexylthiophen-2-yl)pyrano[4,3-c]pyran-1,5-dione |
| Formula | C28 H32 O4 S2 |
| Calculated formula | C28 H32 O4 S2 |
| SMILES | s1ccc(c1c1oc(=O)c2cc(oc(=O)c2c1)c1sccc1CCCCCC)CCCCCC |
| Title of publication | Lactone-fused electron-deficient building blocks for n-type polymer field-effect transistors: synthesis, properties, and impact of alkyl substitution positions |
| Authors of publication | Wang, Xiao-Ye; Zhang, Meng-Wen; Zhuang, Fang-Dong; Wang, Jie-Yu; Pei, Jian |
| Journal of publication | Polym. Chem. |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 12 |
| Pages of publication | 2264 |
| a | 6.0485 ± 0.0007 Å |
| b | 6.9813 ± 0.0004 Å |
| c | 15.2806 ± 0.0016 Å |
| α | 94.625 ± 0.006° |
| β | 94.955 ± 0.009° |
| γ | 95.942 ± 0.007° |
| Cell volume | 636.76 ± 0.11 Å3 |
| Cell temperature | 180.01 ± 0.1 K |
| Ambient diffraction temperature | 180.01 ± 0.1 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 | 0.1171 |
| Residual factor for significantly intense reflections | 0.0745 |
| Weighted residual factors for significantly intense reflections | 0.1791 |
| Weighted residual factors for all reflections included in the refinement | 0.2069 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181807 (current) | 2016-04-05 | cif/ Updating files of 1542533 Original log message: Adding full bibliography for 1542533.cif. |
1542533.cif |
| 176786 | 2016-02-20 | cif/ Adding structures of 1542533 via cif-deposit CGI script. |
1542533.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.