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Information card for entry 1559050
Preview
| Coordinates | 1559050.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H17 N O2 |
|---|---|
| Calculated formula | C19 H17 N O2 |
| SMILES | c1ccccc1[C@@]1([C@@H](C)O1)n1c2ccccc2c(cc1=O)C |
| Title of publication | Asymmetric allylic substitution‒isomerization to axially chiral enamides via hydrogen-bonding assisted central-to-axial chirality transfer |
| Authors of publication | Sun, Chao; Qi, Xiaotian; Min, Xiao-Long; Bai, Xue-Dan; Liu, Peng; He, Ying |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 8.9647 ± 0.0003 Å |
| b | 9.7465 ± 0.0004 Å |
| c | 9.235 ± 0.0003 Å |
| α | 90° |
| β | 110.225 ± 0.001° |
| γ | 90° |
| Cell volume | 757.15 ± 0.05 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0263 |
| Residual factor for significantly intense reflections | 0.0261 |
| Weighted residual factors for significantly intense reflections | 0.0734 |
| Weighted residual factors for all reflections included in the refinement | 0.0737 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256330 (current) | 2020-09-11 | cif/ Adding structures of 1559049, 1559050 via cif-deposit CGI script. |
1559050.cif |
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