Information card for entry 7123685
Formula |
C23 H32 N2 O2 S |
Calculated formula |
C23 H32 N2 O2 S |
Title of publication |
I2/CuCl2-Promoted One-Pot Three-Component Synthesis of Aliphatic or Aromatic Substituted 1,2,3-Thiadiazoles |
Authors of publication |
Wang, Can; Geng, Xiao; Zhao, Peng; Zhou, You; Wu, Yan-Dong; Cui, Yan-Fang; Wu, An-Xin |
Journal of publication |
Chemical Communications |
Year of publication |
2019 |
a |
9.6526 ± 0.0005 Å |
b |
7.4265 ± 0.0004 Å |
c |
30.2283 ± 0.0016 Å |
α |
90° |
β |
95.334 ± 0.002° |
γ |
90° |
Cell volume |
2157.5 ± 0.2 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 2 K |
Number of distinct elements |
5 |
Space group number |
5 |
Hermann-Mauguin space group symbol |
C 1 2 1 |
Hall space group symbol |
C 2y |
Residual factor for all reflections |
0.041 |
Residual factor for significantly intense reflections |
0.0408 |
Weighted residual factors for significantly intense reflections |
0.1136 |
Weighted residual factors for all reflections included in the refinement |
0.114 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.07 |
Diffraction radiation wavelength |
1.54178 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
No |
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https://www.crystallography.net/7123685.html