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Information card for entry 7108899
Preview
| Coordinates | 7108899.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H36 Cl4 N2 O2 Pd |
|---|---|
| Calculated formula | C31 H32 N2 O2 Pd |
| SMILES | [Pd]12([n]3c(C(=[N]1c1c(cccc1C(C)C)C(C)C)C)cccc3c1cccc3c1c2ccc3)OC(=O)C |
| Title of publication | N,N-Chelate-control on the regioselectivity in acetate-assisted C-H activation |
| Authors of publication | Warren B. Cross; Eric G. Hope; Yi-Hsien Lin; Stuart A. Macgregor; Kuldip Singh; Gregory A. Solan; Nurhusna Yahya |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2013 |
| Journal volume | 49 |
| Journal issue | 19 |
| Pages of publication | 1918 - 1920 |
| a | 16.649 ± 0.01 Å |
| b | 11.043 ± 0.006 Å |
| c | 18.579 ± 0.011 Å |
| α | 90° |
| β | 114.617 ± 0.01° |
| γ | 90° |
| Cell volume | 3105 ± 3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0969 |
| Residual factor for significantly intense reflections | 0.0627 |
| Weighted residual factors for significantly intense reflections | 0.1406 |
| Weighted residual factors for all reflections included in the refinement | 0.1514 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.906 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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