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Information card for entry 4516218
Preview
| Coordinates | 4516218.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H60 N4 O6 Pd2 |
|---|---|
| Calculated formula | C46 H60 N4 O6 Pd2 |
| Title of publication | Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization |
| Authors of publication | Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2019 |
| Pages of publication | 11386 |
| a | 9.4493 ± 0.0005 Å |
| b | 19.4338 ± 0.0012 Å |
| c | 25.5923 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4699.7 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0318 |
| Residual factor for significantly intense reflections | 0.0283 |
| Weighted residual factors for significantly intense reflections | 0.0653 |
| Weighted residual factors for all reflections included in the refinement | 0.0664 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
| Diffraction radiation wavelength | 0.41328 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227711 (current) | 2019-11-14 | cif/ Adding structures of 4516214, 4516215, 4516216, 4516217, 4516218, 4516219, 4516220, 4516221, 4516222, 4516223 via cif-deposit CGI script. |
4516218.cif |
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Users of the data should acknowledge the original authors of the
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