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Information card for entry 1566541
Preview
| Coordinates | 1566541.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H15 F3 N3 O |
|---|---|
| Calculated formula | C22 H15 F3 N3 O |
| 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 | 15.6657 ± 0.0019 Å |
| b | 33.014 ± 0.004 Å |
| c | 7.2436 ± 0.0009 Å |
| α | 90° |
| β | 98.651 ± 0.002° |
| γ | 90° |
| Cell volume | 3703.7 ± 0.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1678 |
| Residual factor for significantly intense reflections | 0.0789 |
| Weighted residual factors for significantly intense reflections | 0.2188 |
| Weighted residual factors for all reflections included in the refinement | 0.2743 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| 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. |
1566541.cif |
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Users of the data should acknowledge the original authors of the
structural data.