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Information card for entry 4516713
Preview
| Coordinates | 4516713.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H36 Fe N6 O6 |
|---|---|
| Calculated formula | C36 H36 Fe N6 O6 |
| Title of publication | Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration |
| Authors of publication | MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 10 |
| Pages of publication | 7217 |
| a | 8.0949 ± 0.0002 Å |
| b | 23.7481 ± 0.0005 Å |
| c | 17.1961 ± 0.0005 Å |
| α | 90° |
| β | 97.427 ± 0.003° |
| γ | 90° |
| Cell volume | 3278.02 ± 0.14 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 5 |
| 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 | 0.0635 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.0933 |
| Weighted residual factors for all reflections included in the refinement | 0.1 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239480 (current) | 2019-11-24 | cif/ Adding structures of 4516713 via cif-deposit CGI script. |
4516713.cif |
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Users of the data should acknowledge the original authors of the
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