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Information card for entry 4002207
Preview
| Coordinates | 4002207.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H28 S2 |
|---|---|
| Calculated formula | C28 H28 S2 |
| SMILES | s1c2cc(c3ccccc3)ccc2c2sc3cc(ccc3c12)CCCCCCCC |
| Title of publication | Effects of Substituted Alkyl Chain Length on Solution-Processable Layered Organic Semiconductor Crystals |
| Authors of publication | Inoue, Satoru; Minemawari, Hiromi; Tsutsumi, Jun’ya; Chikamatsu, Masayuki; Yamada, Toshikazu; Horiuchi, Sachio; Tanaka, Mutsuo; Kumai, Reiji; Yoneya, Makoto; Hasegawa, Tatsuo |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2015 |
| Journal volume | 27 |
| Journal issue | 11 |
| Pages of publication | 3809 |
| a | 6.0861 ± 0.0002 Å |
| b | 7.804 ± 0.0003 Å |
| c | 49.128 ± 0.001 Å |
| α | 90° |
| β | 97.199 ± 0.001° |
| γ | 90° |
| Cell volume | 2314.99 ± 0.13 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.0839 |
| Residual factor for significantly intense reflections | 0.0771 |
| Weighted residual factors for significantly intense reflections | 0.2264 |
| Weighted residual factors for all reflections included in the refinement | 0.244 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.15 |
| Diffraction radiation wavelength | 1.5528 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301811 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 4/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
4002207.cif |
| 140080 | 2015-07-05 | cif/ Updating files of 4002203, 4002204, 4002205, 4002206, 4002207 Original log message: Adding full bibliography for 4002203--4002207.cif. |
4002207.cif |
| 137413 | 2015-05-28 | cif/ Adding structures of 4002207 via cif-deposit CGI script. |
4002207.cif |
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Users of the data should acknowledge the original authors of the
structural data.