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Information card for entry 7221155
Preview
| Coordinates | 7221155.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H34 N2 O2 S2 |
|---|---|
| Calculated formula | C32 H34 N2 O2 S2 |
| SMILES | c12sc3ccccc3c1N(C(=O)/C2=C1\c2c(c3c(cccc3)s2)N(C1=O)CCCCCC)CCCCCC |
| Title of publication | Design and Structure-Property Relationship of Benzothienoisoindigo in Organic Field Effect Transistors |
| Authors of publication | Hasegawa, Tsukasa; Ashizawa, Minoru; Matsumoto, Hidetoshi |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 5.05526 ± 0.00009 Å |
| b | 8.31652 ± 0.00015 Å |
| c | 16.4731 ± 0.0003 Å |
| α | 79.8632 ± 0.001° |
| β | 87.76 ± 0.0012° |
| γ | 86.0505 ± 0.001° |
| Cell volume | 679.88 ± 0.02 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0475 |
| Weighted residual factors for all reflections included in the refinement | 0.1455 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 141559 (current) | 2015-07-10 | cif/ Adding structures of 7221153, 7221154, 7221155 via cif-deposit CGI script. |
7221155.cif |
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Users of the data should acknowledge the original authors of the
structural data.