Information card for entry 1529876
| Formula |
C23 H27 F3 O7 S |
| Calculated formula |
C23 H27 F3 O7 S |
| SMILES |
S(C1=C2C(CC(C1)(C(=O)OC)C(=O)OC)C(c1c2cc(OC)c(OC)c1OC)(C)C)C(F)(F)F |
| Title of publication |
AgSCF3-Mediated Trifluoromethylthiolation/Radical Cascade Cyclization of 1,6-Enynes. |
| Authors of publication |
Qiu, Yi-Feng; Zhu, Xin-Yu; Li, Ying-Xiu; He, Yu-Tao; Yang, Fang; Wang, Jia; Hua, Hui-Liang; Zheng, Lan; Wang, Li-Chen; Liu, Xue-Yuan; Liang, Yong-Min |
| Journal of publication |
Organic letters |
| Year of publication |
2015 |
| Journal volume |
17 |
| Journal issue |
15 |
| Pages of publication |
3694 - 3697 |
| a |
9.578 ± 0.002 Å |
| b |
10.805 ± 0.003 Å |
| c |
12.575 ± 0.002 Å |
| α |
102.754 ± 0.018° |
| β |
97.366 ± 0.015° |
| γ |
93.699 ± 0.019° |
| Cell volume |
1253 ± 0.5 Å3 |
| Cell temperature |
293.18 ± 0.1 K |
| Ambient diffraction temperature |
293.18 ± 0.1 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 |
0.1711 |
| Residual factor for significantly intense reflections |
0.0766 |
| Weighted residual factors for significantly intense reflections |
0.1432 |
| Weighted residual factors for all reflections included in the refinement |
0.2088 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.015 |
| Diffraction radiation probe |
x-ray |
| 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/1529876.html
