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Information card for entry 1553413
Preview
| Coordinates | 1553413.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | TPT |
|---|---|
| Chemical name | 2,3,4,5-tetraphenylthiophene |
| Formula | C28 H20 S |
| Calculated formula | C28 H20 S |
| SMILES | s1c(c(c(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 |
| Title of publication | Tetraphenylfuran: aggregation-induced emission or aggregation-caused quenching? |
| Authors of publication | Nie, Han; Hu, Kun; Cai, Yuanjing; Peng, Qian; Zhao, Zujin; Hu, Rongrong; Chen, Junwu; Su, Shi-Jian; Qin, Anjun; Tang, Ben Zhong |
| Journal of publication | Materials Chemistry Frontiers |
| Year of publication | 2017 |
| Journal volume | 1 |
| Journal issue | 6 |
| Pages of publication | 1125 |
| a | 15.4081 ± 0.0005 Å |
| b | 6.0485 ± 0.0002 Å |
| c | 22.1271 ± 0.0007 Å |
| α | 90° |
| β | 102.299 ± 0.003° |
| γ | 90° |
| Cell volume | 2014.83 ± 0.12 Å3 |
| Cell temperature | 173 ± 0.3 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 3 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | I 1 2 1 |
| Hall space group symbol | I 2y |
| Residual factor for all reflections | 0.0378 |
| Residual factor for significantly intense reflections | 0.0355 |
| Weighted residual factors for significantly intense reflections | 0.0832 |
| Weighted residual factors for all reflections included in the refinement | 0.0851 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1553413.cif |
| 234966 | 2019-11-23 | cif/ Adding structures of 1553413, 1553414 via cif-deposit CGI script. |
1553413.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.