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Information card for entry 1575026
Preview
| Coordinates | 1575026.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H11 B Br F5 N2 O3 S |
|---|---|
| Calculated formula | C18 H11 B Br F5 N2 O3 S |
| Title of publication | Catalytic insertion of nitrenes into B–H bonds |
| Authors of publication | Ankudinov, Nikita M.; Alexeev, Nikita V.; Podyacheva, Evgeniya S.; Chusov, Denis A.; Lyssenko, Konstantin A.; Perekalin, Dmitry S. |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| Journal volume | 16 |
| Journal issue | 15 |
| Pages of publication | 6298 - 6306 |
| a | 7.948 ± 0.002 Å |
| b | 8.047 ± 0.002 Å |
| c | 16.16 ± 0.004 Å |
| α | 92.793 ± 0.009° |
| β | 100.437 ± 0.008° |
| γ | 107.826 ± 0.009° |
| Cell volume | 961.6 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.1492 |
| Residual factor for significantly intense reflections | 0.0872 |
| Weighted residual factors for significantly intense reflections | 0.1628 |
| Weighted residual factors for all reflections included in the refinement | 0.2037 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300331 (current) | 2025-07-04 | cif/ Adding structures of 1575024, 1575025, 1575026, 1575027, 1575028 via cif-deposit CGI script. |
1575026.cif |
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Users of the data should acknowledge the original authors of the
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