Information card for entry 4518738
| Formula |
C25 H29 Cl2 I N2 O2 |
| Calculated formula |
C25 H29 Cl2 I N2 O2 |
| SMILES |
Ic1ccc(c(CC(NC(=O)C)/C=C/c2ccc(cc2)C)c1)C(=O)N1CCCC1.ClCCl |
| Title of publication |
Rhodium-Catalyzed Regio-, Diastereo-, and Enantioselective Three-Component Carboamination of Dienes via C‒H Activation |
| Authors of publication |
Mi, Ruijie; Zhang, Xuepeng; Wang, Jinlei; Chen, Haohua; Lan, Yu; Wang, Fen; Li, Xingwei |
| Journal of publication |
ACS Catalysis |
| Year of publication |
2021 |
| Pages of publication |
6692 - 6697 |
| a |
16.666 ± 0.003 Å |
| b |
10.1915 ± 0.0018 Å |
| c |
16.848 ± 0.003 Å |
| α |
90° |
| β |
115.579 ± 0.009° |
| γ |
90° |
| Cell volume |
2581.2 ± 0.8 Å3 |
| Cell temperature |
226 K |
| Ambient diffraction temperature |
226 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 |
0.0845 |
| Residual factor for significantly intense reflections |
0.0762 |
| Weighted residual factors for significantly intense reflections |
0.2174 |
| Weighted residual factors for all reflections included in the refinement |
0.2273 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.062 |
| 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/4518738.html
