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Information card for entry 4517537
Preview
| Coordinates | 4517537.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H34 B2 O2 |
|---|---|
| Calculated formula | C22 H34 B2 O2 |
| Title of publication | A Boron–Boron Double Transborylation Strategy for the Synthesis of gem-Diborylalkanes |
| Authors of publication | Docherty, Jamie H.; Nicholson, Kieran; Dominey, Andrew P.; Thomas, Stephen P. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2020 |
| Pages of publication | 4686 |
| a | 15.0776 ± 0.0002 Å |
| b | 6.6335 ± 0.0001 Å |
| c | 21.5511 ± 0.0003 Å |
| α | 90° |
| β | 102.6 ± 0.001° |
| γ | 90° |
| Cell volume | 2103.57 ± 0.05 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 4 |
| 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 | 0.0744 |
| Residual factor for significantly intense reflections | 0.0664 |
| Weighted residual factors for significantly intense reflections | 0.179 |
| Weighted residual factors for all reflections included in the refinement | 0.188 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4517537.cif |
| 249965 | 2020-04-03 | cif/ Adding structures of 4517537 via cif-deposit CGI script. |
4517537.cif |
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Users of the data should acknowledge the original authors of the
structural data.