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Information card for entry 7131016
Preview
| Coordinates | 7131016.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H10 S2 |
|---|---|
| Calculated formula | C18 H10 S2 |
| SMILES | s1c2c(c3c1cc1sc4c(c1c3)cccc4)cccc2 |
| Title of publication | Phosphaacene as a structural analogue of thienoacenes for organic semiconductors |
| Authors of publication | Matsuo, Kyohei; Okumura, Rina; Hayashi, Hironobu; Aratani, Naoki; Jinnai, Seihou; Ie, Yutaka; Saeki, Akinori; Yamada, Hiroko |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 26.5674 ± 0.0011 Å |
| b | 3.90265 ± 0.00014 Å |
| c | 12.4158 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1287.31 ± 0.09 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103.15 K |
| Number of distinct elements | 3 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0524 |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.1048 |
| Weighted residual factors for all reflections included in the refinement | 0.1081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279443 (current) | 2022-11-22 | cif/ Adding structures of 7131015, 7131016 via cif-deposit CGI script. |
7131016.cif |
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