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Information card for entry 4002204
Preview
| Coordinates | 4002204.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H22 S2 |
|---|---|
| Calculated formula | C25 H22 S2 |
| SMILES | s1c2c3ccc(cc3sc2c2ccc(cc12)c1ccccc1)CCCCC |
| 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 | 6.0866 ± 0.0001 Å |
| b | 7.8111 ± 0.0001 Å |
| c | 42.5972 ± 0.0007 Å |
| α | 90° |
| β | 91.8394 ± 0.0007° |
| γ | 90° |
| Cell volume | 2024.16 ± 0.05 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 | 0.1132 |
| Residual factor for significantly intense reflections | 0.0691 |
| Weighted residual factors for significantly intense reflections | 0.1837 |
| Weighted residual factors for all reflections included in the refinement | 0.2272 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 140080 (current) | 2015-07-05 | cif/ Updating files of 4002203, 4002204, 4002205, 4002206, 4002207 Original log message: Adding full bibliography for 4002203--4002207.cif. |
4002204.cif |
| 137410 | 2015-05-28 | cif/ Adding structures of 4002204 via cif-deposit CGI script. |
4002204.cif |
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Users of the data should acknowledge the original authors of the
structural data.