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Information card for entry 4032273
Preview
| Coordinates | 4032273.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H35 Cl2 F12 N9 Ni2 P2 |
|---|---|
| Calculated formula | C42 H35 Cl2 F12 N9 Ni2 P2 |
| Title of publication | Photoredox-Assisted Reductive Cross-Coupling: Mechanistic Insight into Catalytic Aryl-Alkyl Cross-Couplings. |
| Authors of publication | Paul, Avishek; Smith, Mark D.; Vannucci, Aaron K. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2017 |
| Journal volume | 82 |
| Journal issue | 4 |
| Pages of publication | 1996 - 2003 |
| a | 15.9755 ± 0.0008 Å |
| b | 20.1371 ± 0.001 Å |
| c | 14.1329 ± 0.0007 Å |
| α | 90° |
| β | 97.688 ± 0.002° |
| γ | 90° |
| Cell volume | 4505.7 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0361 |
| Residual factor for significantly intense reflections | 0.0284 |
| Weighted residual factors for significantly intense reflections | 0.0598 |
| Weighted residual factors for all reflections included in the refinement | 0.0626 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193260 (current) | 2017-03-04 | cif/ Adding structures of 4032272, 4032273, 4032274 via cif-deposit CGI script. |
4032273.cif |
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Users of the data should acknowledge the original authors of the
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