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Information card for entry 4134239
Preview
| Coordinates | 4134239.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H23 F3 N O2 |
|---|---|
| Calculated formula | C20 H18 F3 N O2 |
| Title of publication | Oxidation of Non-Activated Anilines to Generate N-Aryl Nitrenoids. |
| Authors of publication | Deng, Tianning; Mazumdar, Wrickban; Ford, Russell; Jana, Navendu; Izar, Ragda; Wink, Donald J.; Driver, Tom G. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 10.0206 ± 0.0014 Å |
| b | 13.4853 ± 0.0018 Å |
| c | 12.9729 ± 0.0018 Å |
| α | 90° |
| β | 96 ± 0.003° |
| γ | 90° |
| Cell volume | 1743.4 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.2101 |
| Residual factor for significantly intense reflections | 0.1026 |
| Weighted residual factors for significantly intense reflections | 0.2154 |
| Weighted residual factors for all reflections included in the refinement | 0.2533 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.262 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 248438 (current) | 2020-02-26 | cif/ Adding structures of 4134239 via cif-deposit CGI script. |
4134239.cif |
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Users of the data should acknowledge the original authors of the
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