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Information card for entry 7236484
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| Coordinates | 7236484.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 | 11.335 ± 0.002 Å |
| b | 11.899 ± 0.002 Å |
| c | 16.207 ± 0.003 Å |
| α | 78.13 ± 0.03° |
| β | 76.41 ± 0.03° |
| γ | 86.87 ± 0.03° |
| Cell volume | 2079.2 ± 0.7 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 | 0.1138 |
| Residual factor for significantly intense reflections | 0.0583 |
| Weighted residual factors for significantly intense reflections | 0.1505 |
| Weighted residual factors for all reflections included in the refinement | 0.1778 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235574 (current) | 2019-11-23 | cif/ Adding structures of 7236483, 7236484 via cif-deposit CGI script. |
7236484.cif |
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Users of the data should acknowledge the original authors of the
structural data.