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Information card for entry 4087717
Preview
| Coordinates | 4087717.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H25 N O2 W |
|---|---|
| Calculated formula | C20 H25 N O2 W |
| Title of publication | Unsymmetrical Saturated Ketones Resulting from Activations of Hydrocarbon C(sp3)‒H and C(sp2)‒H Bonds Effected by Cp*W(NO)(H)(η3-allyl) Complexes |
| Authors of publication | Baillie, Rhett A.; Lefèvre, Guillaume P.; Wakeham, Russell J.; Holmes, Aaron S.; Legzdins, Peter |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 16 |
| Pages of publication | 4085 |
| a | 15.1177 ± 0.0019 Å |
| b | 7.8813 ± 0.0009 Å |
| c | 15.4847 ± 0.0019 Å |
| α | 90° |
| β | 97.175 ± 0.007° |
| γ | 90° |
| Cell volume | 1830.5 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| 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 | 0.0344 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0629 |
| Weighted residual factors for all reflections included in the refinement | 0.0638 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.283 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236940 (current) | 2019-11-24 | cif/ Adding structures of 4087717 via cif-deposit CGI script. |
4087717.cif |
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Users of the data should acknowledge the original authors of the
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