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Information card for entry 7160809
Preview
| Coordinates | 7160809.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H11 B Cl4 F N O3 |
|---|---|
| Calculated formula | C20 H11 B Cl4 F N O3 |
| 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 | 8.59214 ± 0.00009 Å |
| b | 10.16779 ± 0.0001 Å |
| c | 11.84606 ± 0.00013 Å |
| α | 81.7111 ± 0.0009° |
| β | 73.4913 ± 0.0009° |
| γ | 83.7735 ± 0.0008° |
| Cell volume | 979.393 ± 0.018 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.0232 |
| Residual factor for significantly intense reflections | 0.0231 |
| Weighted residual factors for significantly intense reflections | 0.0606 |
| Weighted residual factors for all reflections included in the refinement | 0.0607 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| 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. |
7160809.cif |
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Users of the data should acknowledge the original authors of the
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