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Information card for entry 4518667
Preview
| Coordinates | 4518667.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H18 Br N O |
|---|---|
| Calculated formula | C22 H18 Br N O |
| Title of publication | Rhodium(II)-Catalyzed Regioselective Remote C‒H Alkylation of Protic Indoles |
| Authors of publication | Kong, Lingheng; Han, Xi; Chen, Haohua; Sun, Huaming; Lan, Yu; Li, Xingwei |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 4929 - 4935 |
| a | 6.0333 ± 0.0003 Å |
| b | 29.8691 ± 0.0015 Å |
| c | 9.4917 ± 0.0005 Å |
| α | 90° |
| β | 101.456 ± 0.002° |
| γ | 90° |
| Cell volume | 1676.41 ± 0.15 Å3 |
| Cell temperature | 153.15 K |
| Ambient diffraction temperature | 153.15 K |
| Number of distinct elements | 5 |
| 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 | 0.0734 |
| Residual factor for significantly intense reflections | 0.0731 |
| Weighted residual factors for significantly intense reflections | 0.157 |
| Weighted residual factors for all reflections included in the refinement | 0.1571 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.22 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264785 (current) | 2021-05-03 | cif/ Adding structures of 4518667 via cif-deposit CGI script. |
4518667.cif |
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