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Information card for entry 4088637
Preview
| Coordinates | 4088637.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H53 N Os P2 |
|---|---|
| Calculated formula | C28 H53 N Os P2 |
| SMILES | [OsH3]1([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)[n]2cc(C)cc3c2c1ccc3 |
| Title of publication | Osmium-Mediated Direct C‒H Bond Activation at the 8-Position of Quinolines |
| Authors of publication | Esteruelas, Miguel A.; Larramona, Carmen; Oñate, Enrique |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 11 |
| Pages of publication | 1597 |
| a | 8.9257 ± 0.0014 Å |
| b | 16.717 ± 0.003 Å |
| c | 20.972 ± 0.003 Å |
| α | 107.975 ± 0.002° |
| β | 91.234 ± 0.003° |
| γ | 95.736 ± 0.002° |
| Cell volume | 2957.1 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0715 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.066 |
| Weighted residual factors for all reflections included in the refinement | 0.0745 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237739 (current) | 2019-11-24 | cif/ Adding structures of 4088636, 4088637 via cif-deposit CGI script. |
4088637.cif |
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Users of the data should acknowledge the original authors of the
structural data.