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Information card for entry 1574722
Preview
| Coordinates | 1574722.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H54 B2 N4 |
|---|---|
| Calculated formula | C44 H54 B2 N4 |
| 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 D.; Braunschweig, Holger |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| Journal volume | 16 |
| Journal issue | 25 |
| Pages of publication | 11637 - 11643 |
| a | 13.9101 ± 0.0002 Å |
| b | 15.7838 ± 0.0002 Å |
| c | 17.893 ± 0.0003 Å |
| α | 90° |
| β | 104.378 ± 0.002° |
| γ | 90° |
| Cell volume | 3805.44 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0775 |
| Residual factor for significantly intense reflections | 0.0618 |
| Weighted residual factors for significantly intense reflections | 0.1687 |
| Weighted residual factors for all reflections included in the refinement | 0.1802 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| 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 | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300620 (current) | 2025-07-06 | cif/ Updating files of 1574720, 1574721, 1574722, 1574723, 1574724, 1574725 Original log message: Adding full bibliography for 1574720--1574725.cif. |
1574722.cif |
| 299824 | 2025-05-28 | cif/ Adding structures of 1574720, 1574721, 1574722, 1574723, 1574724, 1574725 via cif-deposit CGI script. |
1574722.cif |
All data in the COD and the database itself are dedicated to the
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CC0
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.
Users of the data should acknowledge the original authors of the
structural data.