Information card for entry 4033821
| Formula |
C28 H21 Cl N2 O2 S |
| Calculated formula |
C28 H21 Cl N2 O2 S |
| SMILES |
Clc1ccc(n2c(nc(c2)C(S(=O)(=O)c2ccccc2)c2ccccc2)c2ccccc2)cc1 |
| Title of publication |
Transition-Metal-Free Three-Component Reaction: Additive Controlled Synthesis of Sulfonylated Imidazoles. |
| Authors of publication |
Liu, Wei; Zhang, Yu; He, Jiaming; Yu, Yue; Yuan, Jiajun; Ye, Xiaoyi; Zhang, Ziwu; Xue, Liang; Cao, Hua |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2019 |
| Journal volume |
84 |
| Journal issue |
17 |
| Pages of publication |
11348 - 11358 |
| a |
10.9009 ± 0.0004 Å |
| b |
10.9293 ± 0.0005 Å |
| c |
11.467 ± 0.0006 Å |
| α |
70.334 ± 0.004° |
| β |
64.617 ± 0.004° |
| γ |
85.903 ± 0.003° |
| Cell volume |
1158.02 ± 0.11 Å3 |
| Cell temperature |
100.01 ± 0.1 K |
| Ambient diffraction temperature |
100.01 ± 0.1 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0458 |
| Residual factor for significantly intense reflections |
0.0388 |
| Weighted residual factors for significantly intense reflections |
0.0899 |
| Weighted residual factors for all reflections included in the refinement |
0.095 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.008 |
| 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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https://www.crystallography.net/4033821.html
