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Information card for entry 8106843
Preview
| Coordinates | 8106843.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H34 S4 |
|---|---|
| Calculated formula | C44 H34 S4 |
| Title of publication | Crystal structure of 1,3,6,8-tetrakis(p-tolylthio)pyrene, C44H34S4 |
| Authors of publication | Li-Hua, Xu; Zhong-Hai, Ni |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 1 |
| Pages of publication | 255 - 257 |
| a | 9.638 ± 0.005 Å |
| b | 9.851 ± 0.005 Å |
| c | 11.615 ± 0.006 Å |
| α | 69.149 ± 0.007° |
| β | 67.313 ± 0.006° |
| γ | 61.805 ± 0.006° |
| Cell volume | 876 ± 0.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0806 |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for significantly intense reflections | 0.1332 |
| Weighted residual factors for all reflections included in the refinement | 0.1467 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281663 (current) | 2023-03-06 | cif/ Adding structures of 8106843 via cif-deposit CGI script. |
8106843.cif |
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Users of the data should acknowledge the original authors of the
structural data.