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Information card for entry 1565122
Preview
| Coordinates | 1565122.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H28 S2 |
|---|---|
| Calculated formula | C30 H28 S2 |
| SMILES | s1c2cc3ccccc3cc2c2sc3c(cc4ccc(cc4c3)C[C@H](CCCC)CC)c12 |
| Title of publication | Enantiopure 2-(2-ethylhexyl)dinaphtho[2,3-<i>b</i>:2',3'-<i>f</i>]thieno[3,2-<i>b</i>]thiophenes: synthesis, single-crystal structure and a surprising lack of influence of stereoisomerism on thin-film structure and electronic properties. |
| Authors of publication | Sumitomo, Kenta; Sudo, Yuta; Kanazawa, Kiseki; Kawabata, Kohsuke; Takimiya, Kazuo |
| Journal of publication | Materials horizons |
| Year of publication | 2022 |
| Journal volume | 9 |
| Journal issue | 1 |
| Pages of publication | 444 - 451 |
| a | 6.0023 ± 0.0002 Å |
| b | 8.1084 ± 0.0002 Å |
| c | 24.3715 ± 0.0005 Å |
| α | 98.319 ± 0.002° |
| β | 94.455 ± 0.002° |
| γ | 92.83 ± 0.002° |
| Cell volume | 1167.9 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0722 |
| Residual factor for significantly intense reflections | 0.0598 |
| Weighted residual factors for significantly intense reflections | 0.1628 |
| Weighted residual factors for all reflections included in the refinement | 0.1748 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| 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 |
|---|---|---|---|
| 275856 (current) | 2022-06-07 | cif/1: Fixing Z values and formulae |
1565122.cif |
| 272790 | 2022-02-04 | cif/ Updating files of 1565122, 1565123 Original log message: Adding full bibliography for 1565122--1565123.cif. |
1565122.cif |
| 270299 | 2021-11-04 | cif/ Adding structures of 1565122, 1565123 via cif-deposit CGI script. |
1565122.cif |
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Users of the data should acknowledge the original authors of the
structural data.