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Information card for entry 1551349
Preview
| Coordinates | 1551349.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H64 B2 N4 |
|---|---|
| Calculated formula | C48 H64 B2 N4 |
| SMILES | B(B=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cccc1C(C)C)C(C)C)=C1N(CCN1c1c(C)cc(cc1C)C)c1c(cccc1C(C)C)C(C)C |
| Title of publication | Mild Synthesis of Diboryldiborenes by Diboration of B-B Triple Bonds |
| Authors of publication | Brueckner, Tobias; Dewhurst, Rian David; Dellermann, Theresa; Müller, Marcel; Braunschweig, Holger |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 19.783 ± 0.013 Å |
| b | 11.805 ± 0.01 Å |
| c | 21.269 ± 0.013 Å |
| α | 90° |
| β | 113.95 ± 0.02° |
| γ | 90° |
| Cell volume | 4539 ± 6 Å3 |
| Cell temperature | 122 ± 2 K |
| Ambient diffraction temperature | 122 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0859 |
| Residual factor for significantly intense reflections | 0.0546 |
| Weighted residual factors for significantly intense reflections | 0.1326 |
| Weighted residual factors for all reflections included in the refinement | 0.1489 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215852 (current) | 2019-06-12 | cif/ Adding structures of 1551349, 1551350, 1551351, 1551352, 1551353 via cif-deposit CGI script. |
1551349.cif |
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Users of the data should acknowledge the original authors of the
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