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Information card for entry 4518973
Preview
| Coordinates | 4518973.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H28 Cl Ir N2 O2 |
|---|---|
| Calculated formula | C20 H28 Cl Ir N2 O2 |
| Title of publication | Iridium(III)-Catalyzed Intermolecular Mild N-Arylation of Aliphatic Amides Using Quinoid Carbene: A Migratory Insertion-Based Approach |
| Authors of publication | Bera, Satabdi; Roy, Saikat; Pal, Shyam Chand; Anoop, Anakuthil; Samanta, Rajarshi |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 10847 - 10854 |
| a | 8.3714 ± 0.0005 Å |
| b | 8.8366 ± 0.0006 Å |
| c | 15.5245 ± 0.0009 Å |
| α | 94.989 ± 0.002° |
| β | 90.639 ± 0.002° |
| γ | 114.72 ± 0.002° |
| Cell volume | 1037.8 ± 0.11 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.037 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.0836 |
| Weighted residual factors for all reflections included in the refinement | 0.0853 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268405 (current) | 2021-09-03 | cif/ Adding structures of 4518973 via cif-deposit CGI script. |
4518973.cif |
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