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Information card for entry 4135323
Preview
| Coordinates | 4135323.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H15 N O3 |
|---|---|
| Calculated formula | C17 H15 N O3 |
| Title of publication | Rational Design of 2-Substituted DMAP-<i>N</i>-oxides as Acyl Transfer Catalysts: Dynamic Kinetic Resolution of Azlactones. |
| Authors of publication | Xie, Ming-Sheng; Huang, Bin; Li, Ning; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 11.738 ± 0.0003 Å |
| b | 4.4064 ± 0.0001 Å |
| c | 27.5661 ± 0.0008 Å |
| α | 90° |
| β | 94.026 ± 0.003° |
| γ | 90° |
| Cell volume | 1422.26 ± 0.06 Å3 |
| Cell temperature | 295.4 ± 0.4 K |
| Ambient diffraction temperature | 295.4 ± 0.4 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0734 |
| Residual factor for significantly intense reflections | 0.0613 |
| Weighted residual factors for significantly intense reflections | 0.1856 |
| Weighted residual factors for all reflections included in the refinement | 0.1907 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.256 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258651 (current) | 2020-10-31 | cif/ Adding structures of 4135323 via cif-deposit CGI script. |
4135323.cif |
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Users of the data should acknowledge the original authors of the
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