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Information card for entry 1545026
Preview
Coordinates | 1545026.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (E)-1,2-di(thiophen-2-yl)ethene |
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Formula | C10 H8 S2 |
Calculated formula | C10 H8 S2 |
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 | 5.81321 ± 0.00019 Å |
b | 7.5432 ± 0.0003 Å |
c | 10.2777 ± 0.0003 Å |
α | 90° |
β | 93.249 ± 0.003° |
γ | 90° |
Cell volume | 449.95 ± 0.03 Å3 |
Cell temperature | 99.99 ± 0.1 K |
Ambient diffraction temperature | 99.99 ± 0.1 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0409 |
Residual factor for significantly intense reflections | 0.0368 |
Weighted residual factors for significantly intense reflections | 0.0901 |
Weighted residual factors for all reflections included in the refinement | 0.093 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1545026.html
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