Information card for entry 7119307
| Formula |
C22 H18 O2 S |
| Calculated formula |
C22 H18 O2 S |
| SMILES |
C1(=C(c2c(cccc2)S1(=O)=O)c1ccc(cc1)C)c1ccc(cc1)C |
| Title of publication |
A novel aggregation-induced emission platform from 2,3-diphenylbenzo[b]thiophene S,S-dioxide. |
| Authors of publication |
Guo, Jingjing; Hu, Shimin; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong |
| Journal of publication |
Chemical communications (Cambridge, England) |
| Year of publication |
2017 |
| Journal volume |
53 |
| Journal issue |
9 |
| Pages of publication |
1463 - 1466 |
| a |
10.134 ± 0.0005 Å |
| b |
10.9037 ± 0.0006 Å |
| c |
17.706 ± 0.0009 Å |
| α |
90.049 ± 0.002° |
| β |
92.799 ± 0.002° |
| γ |
114.437 ± 0.002° |
| Cell volume |
1778.61 ± 0.16 Å3 |
| Cell temperature |
173 ± 2 K |
| Ambient diffraction temperature |
173 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1079 |
| Residual factor for significantly intense reflections |
0.0549 |
| Weighted residual factors for significantly intense reflections |
0.1026 |
| Weighted residual factors for all reflections included in the refinement |
0.1215 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.058 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7119307.html
