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Information card for entry 1568177
Preview
| Coordinates | 1568177.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2,5-diethyl-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione |
|---|---|
| Formula | C18 H16 N2 O2 S2 |
| Calculated formula | C18 H16 N2 O2 S2 |
| Title of publication | Elastic organic semiconducting single crystals for durable all-flexible field-effect transistors: insights into the bending mechanism. |
| Authors of publication | Samanta, Ranita; Das, Susobhan; Mondal, Saikat; Alkhidir, Tamador; Mohamed, Sharmarke; Senanayak, Satyaprasad P.; Reddy, C. Malla |
| Journal of publication | Chemical science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 6 |
| Pages of publication | 1363 - 1371 |
| a | 5.3077 ± 0.0002 Å |
| b | 10.641 ± 0.0003 Å |
| c | 14.3047 ± 0.0004 Å |
| α | 90° |
| β | 97.421 ± 0.003° |
| γ | 90° |
| Cell volume | 801.15 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0532 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.1471 |
| Weighted residual factors for all reflections included in the refinement | 0.1487 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281374 (current) | 2023-03-04 | cif/ Updating files of 1568177 Original log message: Adding full bibliography for 1568177.cif. |
1568177.cif |
| 280008 | 2022-12-23 | cif/ Adding structures of 1568177 via cif-deposit CGI script. |
1568177.cif |
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Users of the data should acknowledge the original authors of the
structural data.