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Information card for entry 1559090
Preview
| Coordinates | 1559090.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H30 Cl Ir N O2 |
|---|---|
| Calculated formula | C22 H30 Cl Ir N O2 |
| 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 | 8.6176 ± 0.0002 Å |
| b | 9.8322 ± 0.0003 Å |
| c | 26.348 ± 0.0008 Å |
| α | 90° |
| β | 96.471 ± 0.003° |
| γ | 90° |
| Cell volume | 2218.24 ± 0.11 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0426 |
| Residual factor for significantly intense reflections | 0.0321 |
| Weighted residual factors for significantly intense reflections | 0.065 |
| Weighted residual factors for all reflections included in the refinement | 0.0706 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| 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 |
|---|---|---|---|
| 256435 (current) | 2020-09-16 | cif/ Adding structures of 1559090 via cif-deposit CGI script. |
1559090.cif |
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Users of the data should acknowledge the original authors of the
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