Information card for entry 1560204
| Formula |
C19 H18 N2 O2 S2 |
| Calculated formula |
C19 H18 N2 O2 S2 |
| SMILES |
s1c([C@H]2N(c3ccccc3)[C@H](N[C@@H]2C(=O)OC)c2sccc2)ccc1 |
| Title of publication |
Chiral Lewis acid-bonded picolinaldehyde enables enantiodivergent carbonyl catalysis in the Mannich/condensation reaction of glycine ester |
| Authors of publication |
Zhong, Xia; Zhong, Ziwei; Wu, Zhikun; Ye, Zhen; Feng, Yuxiang; Dong, Shunxi; Liu, Xiaohua; Peng, Qian; Feng, Xiaoming |
| Journal of publication |
Chemical Science |
| Year of publication |
2021 |
| Journal volume |
12 |
| Journal issue |
12 |
| Pages of publication |
4353 - 4360 |
| a |
9.6009 ± 0.0002 Å |
| b |
10.3983 ± 0.0002 Å |
| c |
9.9867 ± 0.0002 Å |
| α |
90° |
| β |
115.222 ± 0.001° |
| γ |
90° |
| Cell volume |
901.95 ± 0.03 Å3 |
| Cell temperature |
170 ± 2 K |
| Ambient diffraction temperature |
170 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
4 |
| Hermann-Mauguin space group symbol |
P 1 21 1 |
| Hall space group symbol |
P 2yb |
| Residual factor for all reflections |
0.0242 |
| Residual factor for significantly intense reflections |
0.0236 |
| Weighted residual factors for significantly intense reflections |
0.0601 |
| Weighted residual factors for all reflections included in the refinement |
0.0607 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.038 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/1560204.html
