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Information card for entry 7721133
Preview
| Coordinates | 7721133.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H77 B K N O10 |
|---|---|
| Calculated formula | C45 H77 B K N O10 |
| Title of publication | Boron-Targeted H-Atom Transfer Drives Disproportionation of 2,1-Benzazaborolyl Radical Anions Beyond Reversible Gomberg-Krause Dimerization |
| Authors of publication | Hejda, Martin; Dostál, Libor; Mrózek, Ondřej; R°užička, Aleš; Lyčka, Antonín; Mikysek, Tomas; Jirásko, Robert; Samsonov, Maxim Andreevich |
| Journal of publication | Dalton Transactions |
| Year of publication | 2026 |
| a | 26.4752 ± 0.0016 Å |
| b | 11.1673 ± 0.0007 Å |
| c | 18.8707 ± 0.001 Å |
| α | 90° |
| β | 119.656 ± 0.002° |
| γ | 90° |
| Cell volume | 4848.4 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.1431 |
| Residual factor for significantly intense reflections | 0.1026 |
| Weighted residual factors for significantly intense reflections | 0.2926 |
| Weighted residual factors for all reflections included in the refinement | 0.3225 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306570 (current) | 2026-06-16 | cif/ Adding structures of 7721133 via cif-deposit CGI script. |
7721133.cif |
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Users of the data should acknowledge the original authors of the
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