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Information card for entry 1566540
Preview
| Coordinates | 1566540.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H15 Cl F3 N3 O2 |
|---|---|
| Calculated formula | C21 H15 Cl F3 N3 O2 |
| Title of publication | Controllable access to trifluoromethyl-containing indoles and indolines: Palladium-catalyzed regioselective functionalization of unactivated alkenes with trifluoroacetimidoyl chlorides |
| Authors of publication | Yang, Hefei; Wang, Le-Cheng; Zhang, Yu; Zheng, Dongling; Chen, Zhengkai; Wu, Xiao-Feng |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 15.287 ± 0.005 Å |
| b | 15.859 ± 0.005 Å |
| c | 17.629 ± 0.006 Å |
| α | 90° |
| β | 114.523 ± 0.005° |
| γ | 90° |
| Cell volume | 3888 ± 2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1066 |
| Residual factor for significantly intense reflections | 0.0562 |
| Weighted residual factors for significantly intense reflections | 0.1554 |
| Weighted residual factors for all reflections included in the refinement | 0.187 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273289 (current) | 2022-03-04 | cif/ Adding structures of 1566540, 1566541 via cif-deposit CGI script. |
1566540.cif |
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Users of the data should acknowledge the original authors of the
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