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Information card for entry 7160808
Preview
| Coordinates | 7160808.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H12 B Cl F N O2 |
|---|---|
| Calculated formula | C19 H12 B Cl F N O2 |
| Title of publication | Diastereoselective Amidoboronate Formation and Transformation from a rac to a Different meso Amidoboronate via Dynamic C-C Bonds |
| Authors of publication | Harders, Patrick; Raeker, Tim; Pietsch, Lorenz; Nather, Christian; Hartke, Bernd; McConnell, Anna |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 10.93061 ± 0.00014 Å |
| b | 15.2964 ± 0.00015 Å |
| c | 10.61622 ± 0.00012 Å |
| α | 90° |
| β | 116.817 ± 0.0015° |
| γ | 90° |
| Cell volume | 1584.11 ± 0.04 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 7 |
| 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 | 0.0297 |
| Residual factor for significantly intense reflections | 0.0289 |
| Weighted residual factors for significantly intense reflections | 0.0788 |
| Weighted residual factors for all reflections included in the refinement | 0.0793 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302947 (current) | 2025-10-17 | cif/ Adding structures of 7160807, 7160808, 7160809 via cif-deposit CGI script. |
7160808.cif |
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Users of the data should acknowledge the original authors of the
structural data.