Information card for entry 1550493
Formula |
C20 H20 Cl N O2 S |
Calculated formula |
C20 H20 Cl N O2 S |
SMILES |
S(/C(=C(/NCC=C)c1ccccc1)C(=O)OCC)c1ccc(Cl)cc1 |
Title of publication |
Electrochemical Oxidative C-H/S-H Cross-Coupling between Enamines and Thiophenols with H2 Evolution |
Authors of publication |
Lei, Aiwen; Li, Dan-Dan; Li, Shuaibing; Peng, Chong; Lu, Lijun; Wang , Shengchun; Wang, Pan; Chen, Yi-Hung; Cong, Hengjiang |
Journal of publication |
Chemical Science |
Year of publication |
2019 |
a |
11.5425 ± 0.0005 Å |
b |
20.2515 ± 0.0009 Å |
c |
8.2218 ± 0.0004 Å |
α |
90° |
β |
92.176 ± 0.002° |
γ |
90° |
Cell volume |
1920.48 ± 0.15 Å3 |
Cell temperature |
253 ± 2 K |
Ambient diffraction temperature |
253 ± 2 K |
Number of distinct elements |
6 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0543 |
Residual factor for significantly intense reflections |
0.0408 |
Weighted residual factors for significantly intense reflections |
0.1063 |
Weighted residual factors for all reflections included in the refinement |
0.1159 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.03 |
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/1550493.html