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Information card for entry 7119166
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| Coordinates | 7119166.cif |
|---|
| Chemical name | 1-TA-AN |
|---|---|
| Formula | C26 H16 S2 |
| Calculated formula | C26 H16 S2 |
| SMILES | c12ccccc1cc1ccccc1c2c1cccc2c1Sc1c(cccc1)S2 |
| Title of publication | Excimer-induced high-efficiency fluorescence due to pairwise anthracene stacking in a crystal with long lifetime |
| Authors of publication | Haichao Liu; Liang Yao; Bao Li; Xiankai Chen; Yu Gao; Shitong Zhang; Weijun Li; Ping Lu; Bing Yang; Yuguang Ma |
| Journal of publication | Chem.Commun. |
| Year of publication | 2016 |
| Journal volume | 52 |
| Pages of publication | 7356 |
| a | 15.113 ± 0.003 Å |
| b | 7.708 ± 0.0015 Å |
| c | 16.178 ± 0.003 Å |
| α | 90° |
| β | 94 ± 0.03° |
| γ | 90° |
| Cell volume | 1880 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0588 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.1055 |
| Weighted residual factors for all reflections included in the refinement | 0.1135 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186022 (current) | 2016-08-26 | cif/ Adding structures of 7119166, 7119167 via cif-deposit CGI script. |
7119166.cif |
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Users of the data should acknowledge the original authors of the
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