Information card for entry 7131008
Formula |
C26 H24 N2 S |
Calculated formula |
C26 H24 N2 S |
Title of publication |
Merging photoredox with copper catalysis: enantioselective remote cyanation <i>via</i> 1,4-heteroaryl migration. |
Authors of publication |
Guo, Kang; Han, Chunyu; Xie, Xiaofei; Chen, Bin; Cao, Shujun; Yuan, Weidong; Chen, Kang; Liu, Fang; Zhu, Yingguang |
Journal of publication |
Chemical communications (Cambridge, England) |
Year of publication |
2022 |
a |
5.9714 ± 0.0006 Å |
b |
7.5838 ± 0.0007 Å |
c |
23.115 ± 0.002 Å |
α |
90° |
β |
96.615 ± 0.003° |
γ |
90° |
Cell volume |
1039.81 ± 0.17 Å3 |
Cell temperature |
173 ± 2 K |
Ambient diffraction temperature |
173 ± 2 K |
Number of distinct elements |
4 |
Space group number |
4 |
Hermann-Mauguin space group symbol |
P 1 21 1 |
Hall space group symbol |
P 2yb |
Residual factor for all reflections |
0.0343 |
Residual factor for significantly intense reflections |
0.0341 |
Weighted residual factors for significantly intense reflections |
0.093 |
Weighted residual factors for all reflections included in the refinement |
0.0932 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.037 |
Diffraction radiation wavelength |
1.54178 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/7131008.html