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Information card for entry 7236485
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| Coordinates | 7236485.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | M2 |
|---|---|
| Chemical name | 3,4-bis(4-(1,2,2-triphenylvinyl)phenyl)thiophene |
| Formula | C56 H40 S |
| Calculated formula | C56 H40 S |
| Title of publication | The effect of different binding sites on the optical and electronic properties of tetraphenylethylene-substituted thiophene isomers |
| Authors of publication | Li, Jinyu; Shan, Tong; Yao, Mingming; Gao, Yu; Han, Xiao; Yang, Bing; Lu, Ping |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2017 |
| Journal volume | 5 |
| Journal issue | 10 |
| Pages of publication | 2552 |
| a | 12.154 ± 0.002 Å |
| b | 13.157 ± 0.003 Å |
| c | 14.471 ± 0.003 Å |
| α | 67.38 ± 0.03° |
| β | 83.54 ± 0.03° |
| γ | 79.95 ± 0.03° |
| Cell volume | 2100.7 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1261 |
| Residual factor for significantly intense reflections | 0.0602 |
| Weighted residual factors for significantly intense reflections | 0.1576 |
| Weighted residual factors for all reflections included in the refinement | 0.1962 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7236485.cif |
| 235576 | 2019-11-23 | cif/ Adding structures of 7236485 via cif-deposit CGI script. |
7236485.cif |
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Users of the data should acknowledge the original authors of the
structural data.