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Information card for entry 4131041
Preview
| Coordinates | 4131041.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H18 N2 O3 Pd |
|---|---|
| Calculated formula | C21 H18 N2 O3 Pd |
| Title of publication | Catalytic, Regioselective Hydrocarbofunctionalization of Unactivated Alkenes with Diverse C-H Nucleophiles. |
| Authors of publication | Yang, Kin S.; Gurak, Jr, John A; Liu, Zhen; Engle, Keary M. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 44 |
| Pages of publication | 14705 - 14712 |
| a | 13.718 ± 0.003 Å |
| b | 5.1398 ± 0.0011 Å |
| c | 24.816 ± 0.005 Å |
| α | 90° |
| β | 102.657 ± 0.006° |
| γ | 90° |
| Cell volume | 1707.2 ± 0.6 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0209 |
| Residual factor for significantly intense reflections | 0.0201 |
| Weighted residual factors for significantly intense reflections | 0.0455 |
| Weighted residual factors for all reflections included in the refinement | 0.0459 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| 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 |
|---|---|---|---|
| 241349 (current) | 2019-11-25 | cif/ Adding structures of 4131041 via cif-deposit CGI script. |
4131041.cif |
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Users of the data should acknowledge the original authors of the
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