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Information card for entry 4130723
Preview
| Coordinates | 4130723.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H56 B Co N2 O2 P2 |
|---|---|
| Calculated formula | C29 H56 B Co N2 O2 P2 |
| Title of publication | Cobalt-Catalyzed C(sp(2))-H Borylation: Mechanistic Insights Inspire Catalyst Design. |
| Authors of publication | Obligacion, Jennifer V.; Semproni, Scott P.; Pappas, Iraklis; Chirik, Paul J. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 33 |
| Pages of publication | 10645 - 10653 |
| a | 10.759 ± 0.002 Å |
| b | 15.982 ± 0.003 Å |
| c | 19.173 ± 0.004 Å |
| α | 90° |
| β | 93.152 ± 0.004° |
| γ | 90° |
| Cell volume | 3291.8 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0918 |
| Residual factor for significantly intense reflections | 0.0822 |
| Weighted residual factors for significantly intense reflections | 0.205 |
| Weighted residual factors for all reflections included in the refinement | 0.2107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.152 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241108 (current) | 2019-11-25 | cif/ Adding structures of 4130722, 4130723, 4130724, 4130725, 4130726, 4130727, 4130728 via cif-deposit CGI script. |
4130723.cif |
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Users of the data should acknowledge the original authors of the
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