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Information card for entry 4518668
Preview
| Coordinates | 4518668.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H16.5 Br N O1.25 |
|---|---|
| Calculated formula | C24 H16.5 Br N O1.25 |
| 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 | 9.7726 ± 0.0009 Å |
| b | 12.1642 ± 0.0011 Å |
| c | 16.4042 ± 0.0015 Å |
| α | 94.461 ± 0.003° |
| β | 102.259 ± 0.004° |
| γ | 105.75 ± 0.003° |
| Cell volume | 1814.9 ± 0.3 Å3 |
| Cell temperature | 153 K |
| Ambient diffraction temperature | 153 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0884 |
| Residual factor for significantly intense reflections | 0.0766 |
| Weighted residual factors for significantly intense reflections | 0.2335 |
| Weighted residual factors for all reflections included in the refinement | 0.241 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264786 (current) | 2021-05-03 | cif/ Adding structures of 4518668 via cif-deposit CGI script. |
4518668.cif |
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