Information card for entry 4038607
| Formula |
C21 H19 I O2 S2 |
| Calculated formula |
C21 H19 I O2 S2 |
| Title of publication |
One-Pot Synthesis of 2,4-Diacyl Thiophenes from α-Oxo Ketene Dithioacetals and Propargylic Alcohols. |
| Authors of publication |
Jian, Xue; Bai, Li-Gang; Zhang, Liang; Zhou, Yue; Lin, Xiao-Long; Mou, Neng-Jie; Xiao, Dong-Rong; Luo, Qun-Li |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2020 |
| a |
9.1035 ± 0.0003 Å |
| b |
9.7637 ± 0.0003 Å |
| c |
13.8594 ± 0.0004 Å |
| α |
94.342 ± 0.002° |
| β |
106.336 ± 0.002° |
| γ |
116.57 ± 0.003° |
| Cell volume |
1027.74 ± 0.07 Å3 |
| Cell temperature |
295.9 ± 0.3 K |
| Ambient diffraction temperature |
295.9 ± 0.3 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0676 |
| Residual factor for significantly intense reflections |
0.0659 |
| Weighted residual factors for significantly intense reflections |
0.1721 |
| Weighted residual factors for all reflections included in the refinement |
0.1763 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.041 |
| 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/4038607.html
