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Information card for entry 4518672
Preview
| Coordinates | 4518672.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H25 Cl Ir N3 |
|---|---|
| Calculated formula | C21 H24.5 Cl Ir N3 |
| Title of publication | Iridium(III)-Catalyzed Branch-Selective C‒H Alkenylation of Aniline Derivatives with Alkenes |
| Authors of publication | Khake, Shrikant M.; Yamazaki, Ken; Ano, Yusuke; Chatani, Naoto |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 5463 - 5471 |
| a | 11.1967 ± 0.0004 Å |
| b | 22.1378 ± 0.0005 Å |
| c | 24.3143 ± 0.0005 Å |
| α | 76.519 ± 0.0019° |
| β | 88.79 ± 0.002° |
| γ | 86.768 ± 0.002° |
| Cell volume | 5851.2 ± 0.3 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1391 |
| Residual factor for significantly intense reflections | 0.1148 |
| Weighted residual factors for significantly intense reflections | 0.3017 |
| Weighted residual factors for all reflections included in the refinement | 0.3475 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264790 (current) | 2021-05-03 | cif/ Adding structures of 4518672 via cif-deposit CGI script. |
4518672.cif |
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