Information card for entry 7059898
| Formula |
C22 H16 O3 S2 |
| Calculated formula |
C22 H16 O3 S2 |
| SMILES |
S(=O)(=O)(C1=C(Sc2c(C1=O)cccc2)c1ccccc1)c1ccc(cc1)C |
| Title of publication |
Transition-metal-free sulfonylations of methylthiolated alkynones to synthesize 3-sulfonylated thioflavones |
| Authors of publication |
Feng, Zhi-Wen; Li, Jing; Jiang, Yu-Qin; Tian, Yu; Xu, Gui-Qing; Shi, Xin; Ding, Qing-Jie; Li, Wei; Ma, Chun-Hua; Yu, Bing |
| Journal of publication |
New Journal of Chemistry |
| Year of publication |
2020 |
| Journal volume |
44 |
| Journal issue |
35 |
| Pages of publication |
14786 - 14790 |
| a |
5.3571 ± 0.0002 Å |
| b |
12.7753 ± 0.0006 Å |
| c |
13.8969 ± 0.0006 Å |
| α |
74.461 ± 0.004° |
| β |
86.616 ± 0.003° |
| γ |
85.79 ± 0.003° |
| Cell volume |
913.08 ± 0.07 Å3 |
| Cell temperature |
295.5 ± 0.3 K |
| Ambient diffraction temperature |
295.5 ± 0.3 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 |
0.042 |
| Residual factor for significantly intense reflections |
0.0374 |
| Weighted residual factors for significantly intense reflections |
0.1029 |
| Weighted residual factors for all reflections included in the refinement |
0.1055 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.065 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7059898.html
