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Information card for entry 1559052
Preview
| Coordinates | 1559052.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H65 B2 N5 |
|---|---|
| Calculated formula | C37 H65 B2 N5 |
| SMILES | N1(C2CCCCC2)/C(=N\C2CCCCC2)C2(N(c3c(cccc3C(C)C)C(C)C)C(CC2(C)C)(C)C)B1B(N(C)C)N(C)C |
| Title of publication | Phosphinoborylenes as stable sources of fleeting borylenes |
| Authors of publication | Pranckevicius, Conor; Weber, Marco; Krummenacher, Ivo; Phukan, Ashwini K.; Braunschweig, Holger |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 9.71 ± 0.002 Å |
| b | 11.4 ± 0.002 Å |
| c | 18.312 ± 0.004 Å |
| α | 88.07 ± 0.005° |
| β | 79.88 ± 0.005° |
| γ | 65.914 ± 0.005° |
| Cell volume | 1820.1 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0959 |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for significantly intense reflections | 0.1081 |
| Weighted residual factors for all reflections included in the refinement | 0.1242 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256331 (current) | 2020-09-11 | cif/ Adding structures of 1559051, 1559052, 1559053, 1559054, 1559055, 1559056 via cif-deposit CGI script. |
1559052.cif |
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Users of the data should acknowledge the original authors of the
structural data.