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Information card for entry 4516780
Preview
| Coordinates | 4516780.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H70 Cl2 Co2 F6 N2 O6 P4 S2 |
|---|---|
| Calculated formula | C40 H70 Cl2 Co2 F6 N2 O6 P4 S2 |
| Title of publication | Insight into Transmetalation Enables Cobalt-Catalyzed Suzuki-Miyaura Cross Coupling. |
| Authors of publication | Neely, Jamie M.; Bezdek, Máté J; Chirik, Paul J. |
| Journal of publication | ACS central science |
| Year of publication | 2016 |
| Journal volume | 2 |
| Journal issue | 12 |
| Pages of publication | 935 - 942 |
| a | 10.1526 ± 0.0004 Å |
| b | 11.188 ± 0.0004 Å |
| c | 11.4068 ± 0.0004 Å |
| α | 90° |
| β | 94.395 ± 0.001° |
| γ | 90° |
| Cell volume | 1291.86 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0633 |
| Residual factor for significantly intense reflections | 0.0628 |
| Weighted residual factors for significantly intense reflections | 0.1785 |
| Weighted residual factors for all reflections included in the refinement | 0.1793 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239532 (current) | 2019-11-24 | cif/ Adding structures of 4516776, 4516777, 4516778, 4516779, 4516780 via cif-deposit CGI script. |
4516780.cif |
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Users of the data should acknowledge the original authors of the
structural data.