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Information card for entry 4519140
Preview
| Coordinates | 4519140.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H23 Cl2 N3 O2 |
|---|---|
| Calculated formula | C22 H23 Cl2 N3 O2 |
| Title of publication | Ni(II)-Catalyzed Asymmetric Nitration of Oxindoles: Construction of Cipargamin Analogues |
| Authors of publication | Lv, Mingjun; Li, Xiaoxun |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 14829 - 14835 |
| a | 9.7747 ± 0.0003 Å |
| b | 7.5306 ± 0.0003 Å |
| c | 14.5872 ± 0.0004 Å |
| α | 90° |
| β | 104.962 ± 0.003° |
| γ | 90° |
| Cell volume | 1037.35 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0492 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.111 |
| Weighted residual factors for all reflections included in the refinement | 0.1158 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271021 (current) | 2021-12-03 | cif/ Adding structures of 4519140 via cif-deposit CGI script. |
4519140.cif |
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