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Information card for entry 1555035
Preview
| Coordinates | 1555035.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C88 H73 Cl10 N3 Pd |
|---|---|
| Calculated formula | C88 H73 Cl10 N3 Pd |
| Title of publication | Rigid hindered N-heterocyclic carbene palladium precatalysts: synthesis, characterization and catalytic amination |
| Authors of publication | Zhang, Fei-Yi; Lan, Xiao-Bing; Xu, Chang; Yao, Hua-Gang; Li, Tian; Liu, Feng-Shou |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 18 |
| Pages of publication | 3292 |
| a | 17.9223 ± 0.0005 Å |
| b | 20.5932 ± 0.0006 Å |
| c | 21.0729 ± 0.0007 Å |
| α | 90° |
| β | 100.834 ± 0.003° |
| γ | 90° |
| Cell volume | 7638.9 ± 0.4 Å3 |
| Cell temperature | 151 ± 2 K |
| Ambient diffraction temperature | 151 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0821 |
| Residual factor for significantly intense reflections | 0.075 |
| Weighted residual factors for significantly intense reflections | 0.2099 |
| Weighted residual factors for all reflections included in the refinement | 0.2229 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238284 (current) | 2019-11-24 | cif/ Adding structures of 1555035, 1555036 via cif-deposit CGI script. |
1555035.cif |
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Users of the data should acknowledge the original authors of the
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