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Information card for entry 4518738
Preview
| Coordinates | 4518738.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H29 Cl2 I N2 O2 |
|---|---|
| Calculated formula | C25 H29 Cl2 I N2 O2 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265466 (current) | 2021-05-25 | cif/ Adding structures of 4518738 via cif-deposit CGI script. |
4518738.cif |
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