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Information card for entry 1575033
Preview
| Coordinates | 1575033.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H32 B2 S2 |
|---|---|
| Calculated formula | C24 H32 B2 S2 |
| Title of publication | Ligand non-innocence and an unusual σ-bond metathesis step enables catalytic borylation using 9-borabicyclo-[3.3.1]-nonane |
| Authors of publication | Bisai, Milan Kumar; Łosiewicz, Justyna; Nichol, Gary S.; Dominey, Andrew P.; Thomas, Stephen P.; Macgregor, Stuart A.; Ingleson, Michael J. |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| Journal volume | 16 |
| Journal issue | 21 |
| Pages of publication | 9255 - 9263 |
| a | 6.5122 ± 0.0002 Å |
| b | 9.5179 ± 0.0005 Å |
| c | 10.1405 ± 0.0007 Å |
| α | 116.147 ± 0.006° |
| β | 98.075 ± 0.004° |
| γ | 99.496 ± 0.003° |
| Cell volume | 540.11 ± 0.06 Å3 |
| Cell temperature | 120 ± 0.1 K |
| Ambient diffraction temperature | 120 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0509 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.13 |
| Weighted residual factors for all reflections included in the refinement | 0.133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| 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 |
|---|---|---|---|
| 300333 (current) | 2025-07-04 | cif/ Adding structures of 1575032, 1575033, 1575034, 1575035, 1575036, 1575037 via cif-deposit CGI script. |
1575033.cif |
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Users of the data should acknowledge the original authors of the
structural data.