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Information card for entry 1559089
Preview
| Coordinates | 1559089.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H30 Cl Ir N O |
|---|---|
| Calculated formula | C22 H30 Cl Ir N O |
| Title of publication | Highly Productive α-Alkylation of Ketones with Alcohols Mediated by an Ir‒Oxalamidato/Solid Base Catalyst System |
| Authors of publication | Shimizu, Hideo; Maeda, Hironori; Nara, Hideki |
| Journal of publication | Organic Process Research & Development |
| Year of publication | 2020 |
| a | 10.4344 ± 0.0002 Å |
| b | 12.4456 ± 0.0003 Å |
| c | 16.3498 ± 0.0004 Å |
| α | 90° |
| β | 96.795 ± 0.002° |
| γ | 90° |
| Cell volume | 2108.31 ± 0.08 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 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 | 0.0336 |
| Residual factor for significantly intense reflections | 0.0253 |
| Weighted residual factors for significantly intense reflections | 0.0535 |
| Weighted residual factors for all reflections included in the refinement | 0.0561 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256434 (current) | 2020-09-16 | cif/ Adding structures of 1559089 via cif-deposit CGI script. |
1559089.cif |
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Users of the data should acknowledge the original authors of the
structural data.