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Information card for entry 4518942
Preview
| Coordinates | 4518942.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 21059 |
|---|---|
| Formula | C28 H19 Au F2 I P |
| Calculated formula | C28 H19 Au F2 I P |
| Title of publication | Mechanistic Investigation into the Gold-Catalyzed Decarboxylative Cross-Coupling of Iodoarenes |
| Authors of publication | Daley, Ryan A.; Morrenzin, Aaron S.; Neufeldt, Sharon R.; Topczewski, Joseph J. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 9578 - 9587 |
| a | 16.205 ± 0.006 Å |
| b | 18.724 ± 0.006 Å |
| c | 17.194 ± 0.006 Å |
| α | 90° |
| β | 111.579 ± 0.012° |
| γ | 90° |
| Cell volume | 4851 ± 3 Å3 |
| Cell temperature | 125 ± 2 K |
| Ambient diffraction temperature | 125 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0496 |
| Residual factor for significantly intense reflections | 0.0265 |
| Weighted residual factors for significantly intense reflections | 0.0514 |
| Weighted residual factors for all reflections included in the refinement | 0.0616 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267916 (current) | 2021-08-03 | cif/ Adding structures of 4518942 via cif-deposit CGI script. |
4518942.cif |
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Users of the data should acknowledge the original authors of the
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