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Information card for entry 1545027
Preview
| Coordinates | 1545027.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 4,5-bis(thiophene-2-yl)thieno[3,2-e]benzo[b]thiophene |
|---|---|
| Formula | C18 H10 S4 |
| Calculated formula | C18 H10 S4 |
| SMILES | s1c2c(c(c3sccc3c2cc1)c1sccc1)c1sccc1 |
| Title of publication | Aggregation-induced emission: mechanistic study of the clusteroluminescence of tetrathienylethene |
| Authors of publication | Viglianti, Lucia; Leung, Nelson L. C.; Xie, Ni; Gu, Xinggui; Sung, Herman H. Y.; Miao, Qian; Williams, Ian D.; Licandro, Emanuela; Tang, Ben Zhong |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| Journal volume | 8 |
| Journal issue | 4 |
| Pages of publication | 2629 |
| a | 10.91901 ± 0.00014 Å |
| b | 8.76755 ± 0.00011 Å |
| c | 15.8755 ± 0.0002 Å |
| α | 90° |
| β | 93.1272 ± 0.0011° |
| γ | 90° |
| Cell volume | 1517.55 ± 0.03 Å3 |
| Cell temperature | 100.1 ± 0.5 K |
| Ambient diffraction temperature | 100.1 ± 0.5 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0274 |
| Residual factor for significantly intense reflections | 0.0261 |
| Weighted residual factors for significantly intense reflections | 0.0652 |
| Weighted residual factors for all reflections included in the refinement | 0.0661 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 195003 (current) | 2017-04-05 | cif/ Updating files of 1545026, 1545027, 1545028 Original log message: Adding full bibliography for 1545026--1545028.cif. |
1545027.cif |
| 190427 | 2017-01-12 | cif/ Adding structures of 1545026, 1545027, 1545028 via cif-deposit CGI script. |
1545027.cif |
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Users of the data should acknowledge the original authors of the
structural data.