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Information card for entry 8104871
Preview
| Coordinates | 8104871.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H22 S2 |
|---|---|
| Calculated formula | C30 H22 S2 |
| Title of publication | Synthesis, crystal structure and optical property of 1,6-bis(p-tolylthio)pyrene, C30H22S2 |
| Authors of publication | Jing, Nie; Jian-Hua, Wei; Zhong-Hai, Ni |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 1 |
| Pages of publication | 21 - 23 |
| a | 7.5621 ± 0.0002 Å |
| b | 8.6787 ± 0.0003 Å |
| c | 9.8951 ± 0.0003 Å |
| α | 110.418 ± 0.001° |
| β | 97.681 ± 0.001° |
| γ | 108.843 ± 0.001° |
| Cell volume | 553.33 ± 0.03 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0477 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.1115 |
| Weighted residual factors for all reflections included in the refinement | 0.116 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273985 (current) | 2022-03-25 | cif/ Adding structures of 8104871 via cif-deposit CGI script. |
8104871.cif |
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Users of the data should acknowledge the original authors of the
structural data.