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Information card for entry 7112264
Preview
| Coordinates | 7112264.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H27 B N2 O6 |
|---|---|
| Calculated formula | C19 H27 B N2 O6 |
| SMILES | O1C(=C(c2c(B1O)cccc2)N(NC(=O)OC(C)C)C(=O)OC(C)C)CCC |
| Title of publication | Asymmetric synthesis of heteroaryl atropisomers via a gold-catalyzed cycloisomerization-amination cascade reaction. |
| Authors of publication | Guo, Rui; Li, Kang-Nan; Liu, Bin; Zhu, Hua-Jie; Fan, Yu-Meng; Gong, Liu-Zhu |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2014 |
| Journal volume | 50 |
| Journal issue | 41 |
| Pages of publication | 5451 - 5454 |
| a | 9.8024 ± 0.0004 Å |
| b | 10.2502 ± 0.0003 Å |
| c | 11.0769 ± 0.0003 Å |
| α | 91.745 ± 0.002° |
| β | 108.985 ± 0.003° |
| γ | 92.31 ± 0.003° |
| Cell volume | 1050.45 ± 0.06 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0469 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.1269 |
| Weighted residual factors for all reflections included in the refinement | 0.1295 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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