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Information card for entry 4130938
Preview
| Coordinates | 4130938.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22.5 H17 Br Cl N2 |
|---|---|
| Calculated formula | C22.5 H17 Br Cl N2 |
| Title of publication | Synthesis of IAN-type N,N-Ligands via Dynamic Kinetic Asymmetric Buchwald-Hartwig Amination. |
| Authors of publication | Ramírez-López, Pedro; Ros, Abel; Romero-Arenas, Antonio; Iglesias-Sigüenza, Javier; Fernández, Rosario; Lassaletta, José M |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 37 |
| Pages of publication | 12053 - 12056 |
| a | 9.591 ± 0.0002 Å |
| b | 9.591 ± 0.0002 Å |
| c | 43.0251 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3957.76 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0294 |
| Residual factor for significantly intense reflections | 0.0294 |
| Weighted residual factors for significantly intense reflections | 0.11 |
| Weighted residual factors for all reflections included in the refinement | 0.11 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241270 (current) | 2019-11-25 | cif/ Adding structures of 4130938 via cif-deposit CGI script. |
4130938.cif |
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Users of the data should acknowledge the original authors of the
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