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Information card for entry 1558957
Preview
| Coordinates | 1558957.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H63 O2.5 P2 |
|---|---|
| Calculated formula | C44 H63 O2.5 P2 |
| Title of publication | Access to P-Chiral sec- and tert-Phosphine Oxides Enabled by Le-Phos-Catalyzed Asymmetric Kinetic Resolution |
| Authors of publication | Qiu, Haile; Dai, Qiang; He, Jiafeng; Li, Wenbo; Zhang, Junliang |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 11.2099 ± 0.0001 Å |
| b | 17.2004 ± 0.0002 Å |
| c | 21.3573 ± 0.0002 Å |
| α | 90° |
| β | 98.838 ± 0.001° |
| γ | 90° |
| Cell volume | 4069.11 ± 0.07 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0269 |
| Residual factor for significantly intense reflections | 0.0267 |
| Weighted residual factors for significantly intense reflections | 0.0701 |
| Weighted residual factors for all reflections included in the refinement | 0.0702 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| 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 |
|---|---|---|---|
| 255810 (current) | 2020-09-03 | cif/ Adding structures of 1558957 via cif-deposit CGI script. |
1558957.cif |
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Users of the data should acknowledge the original authors of the
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