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Information card for entry 4519169
Preview
| Coordinates | 4519169.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H28 F7 N2 O2 P Pd |
|---|---|
| Calculated formula | C33 H28 F7 N2 O2 P Pd |
| Title of publication | Palladium-Catalyzed β-C(sp3)–H Nitrooxylation of Ketones and Amides Using Practical Oxidants |
| Authors of publication | Xue, Yuan; Park, Han Seul; Jiang, Chao; Yu, Jin-Quan |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 22 |
| Pages of publication | 14188 - 14193 |
| a | 10.224 ± 0.0003 Å |
| b | 15.6567 ± 0.0005 Å |
| c | 20.8337 ± 0.0007 Å |
| α | 102.492 ± 0.001° |
| β | 90.645 ± 0.001° |
| γ | 99.746 ± 0.001° |
| Cell volume | 3205.02 ± 0.18 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0496 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for significantly intense reflections | 0.082 |
| Weighted residual factors for all reflections included in the refinement | 0.0912 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271035 (current) | 2021-12-03 | cif/ Adding structures of 4519169 via cif-deposit CGI script. |
4519169.cif |
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