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CIF Information Card
Information card for 7107677
7107676 << 7107677 >> 7107678Preview
|
Coordinates |
7107677.cif |
Structure parameters
| Formula | - C19 H30 B N O6 - |
| Calculated formula | - C19 H30 B N O6 - |
| Title of publication | Palladium-catalyzed monoselective C-H borylation of acetanilides under acidic conditions |
| Authors of publication | Bin Xiao; Yi-Ming Li; Zhao-Jing Liu; Han-Yi Yang; Yao Fu |
| Journal of publication | Chem.Commun. |
| Year of publication | 2012 |
| Journal volume | 48 |
| Pages of publication | 4854 |
| a | 13.6012 ± 0.0006 Å |
| b | 7.1439 ± 0.0003 Å |
| c | 22.0501 ± 0.0007 Å |
| α | 90° |
| β | 101.036 ± 0.003° |
| γ | 90° |
| Cell volume | 2102.89 ± 0.15 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.0607 |
| Residual factor for observed reflections | 0.0524 |
| Weighted residual factors for the observed reflections | 0.1435 |
| Weighted residual factors for all reflections included in the refinement | 0.1521 |
| Goodness-of-fit parameter for observed reflections | 1.059 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |