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Information card for entry 1567493
Preview
| Coordinates | 1567493.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H38 B F5 N3 O |
|---|---|
| Calculated formula | C39 H38 B F5 N3 O |
| Title of publication | Generation of Boryl-nitroxide Radicals from a Boraalkene via the Nitroso Ene Reaction |
| Authors of publication | Chen, Chaohuang; Daniliuc, Constantin Gabriel; Klabunde, Sina; Hansen, Michael Ryan; Kehr, Gerald; Erker, Gerhard |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 14.1129 ± 0.0002 Å |
| b | 16.9245 ± 0.0003 Å |
| c | 15.4437 ± 0.0003 Å |
| α | 90° |
| β | 111.527 ± 0.001° |
| γ | 90° |
| Cell volume | 3431.47 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0744 |
| Residual factor for significantly intense reflections | 0.0568 |
| Weighted residual factors for significantly intense reflections | 0.1407 |
| Weighted residual factors for all reflections included in the refinement | 0.1534 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277304 (current) | 2022-08-19 | cif/ Adding structures of 1567493 via cif-deposit CGI script. |
1567493.cif |
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Users of the data should acknowledge the original authors of the
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