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Information card for entry 4132376
Preview
| Coordinates | 4132376.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H24 N4 O4 |
|---|---|
| Calculated formula | C22 H24 N4 O4 |
| Title of publication | Direct β-Alkylation of Ketones and Aldehydes via Pd-Catalyzed Redox Cascade. |
| Authors of publication | Wang, Chengpeng; Dong, Guangbin |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 19 |
| Pages of publication | 6057 - 6061 |
| a | 8.7271 ± 0.0016 Å |
| b | 13.977 ± 0.003 Å |
| c | 16.68 ± 0.003 Å |
| α | 92.757 ± 0.005° |
| β | 98.833 ± 0.005° |
| γ | 91.076 ± 0.005° |
| Cell volume | 2007.4 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1255 |
| Residual factor for significantly intense reflections | 0.0885 |
| Weighted residual factors for significantly intense reflections | 0.2132 |
| Weighted residual factors for all reflections included in the refinement | 0.2371 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242359 (current) | 2019-11-26 | cif/ Adding structures of 4132376 via cif-deposit CGI script. |
4132376.cif |
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Users of the data should acknowledge the original authors of the
structural data.