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Information card for entry 1574725
Preview
| Coordinates | 1574725.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H82 B3 I N6 |
|---|---|
| Calculated formula | C66 H82 B3 I N6 |
| Title of publication | Synthesis of symmetrical and unsymmetrical cyclic diborenes via NHC-directed C–H borylation |
| Authors of publication | Mihm, Cornelius; Kar, Sourav; Sachs, Andreas; Duwe, Dario; Dewhurst, Rian David; Braunschweig, Holger |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 15.6024 ± 0.0003 Å |
| b | 21.2733 ± 0.0002 Å |
| c | 21.6009 ± 0.0003 Å |
| α | 90° |
| β | 93.274 ± 0.002° |
| γ | 90° |
| Cell volume | 7157.95 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0907 |
| Residual factor for significantly intense reflections | 0.0707 |
| Weighted residual factors for significantly intense reflections | 0.1936 |
| Weighted residual factors for all reflections included in the refinement | 0.2109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Diffraction radiation X-ray symbol | K-L~2,3~ |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299824 (current) | 2025-05-28 | cif/ Adding structures of 1574720, 1574721, 1574722, 1574723, 1574724, 1574725 via cif-deposit CGI script. |
1574725.cif |
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Users of the data should acknowledge the original authors of the
structural data.