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Information card for entry 1558388
Preview
| Coordinates | 1558388.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H39 N2 O3 P Ru |
|---|---|
| Calculated formula | C25 H39 N2 O3 P Ru |
| SMILES | [RuH]12([P](Cc3[n]1c(ccc3)C[NH]2Cc1ccccc1)(C(C)(C)C)C(C)(C)C)(OCCO)C#[O] |
| Title of publication | Synthesis of oxalamides by acceptorless dehydrogenative coupling of ethylene glycol and amines and the reverse hydrogenation catalyzed by ruthenium |
| Authors of publication | Zou, You-Quan; Zhou, Quan-Quan; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 9.5765 ± 0.0002 Å |
| b | 12.9092 ± 0.0003 Å |
| c | 21.0501 ± 0.0005 Å |
| α | 90° |
| β | 100.084 ± 0.002° |
| γ | 90° |
| Cell volume | 2562.12 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0435 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.084 |
| Weighted residual factors for all reflections included in the refinement | 0.0858 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253341 (current) | 2020-06-23 | cif/ Adding structures of 1558388 via cif-deposit CGI script. |
1558388.cif |
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