Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1564261
Preview
| Coordinates | 1564261.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Phenyl (S)-2-((4-methoxyphenyl)amino)-2-phenylacetate |
|---|---|
| Formula | C21 H19 N O3 |
| Calculated formula | C21 H19 N O3 |
| SMILES | O=C(Oc1ccccc1)[C@@H](Nc1ccc(OC)cc1)c1ccccc1 |
| Title of publication | Organocatalytic asymmetric synthesis of α-amino esters from sulfoxonium ylides |
| Authors of publication | Guo, Wengang; Wang, Min; Han, Zhengyu; Huang, Hai; Sun, Jianwei |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 20.228 ± 0.0004 Å |
| b | 7.9448 ± 0.0002 Å |
| c | 10.7105 ± 0.0002 Å |
| α | 90° |
| β | 94.888 ± 0.002° |
| γ | 90° |
| Cell volume | 1715 ± 0.06 Å3 |
| Cell temperature | 99.93 ± 0.17 K |
| Ambient diffraction temperature | 99.93 ± 0.17 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 | 0.0295 |
| Residual factor for significantly intense reflections | 0.0283 |
| Weighted residual factors for significantly intense reflections | 0.0686 |
| Weighted residual factors for all reflections included in the refinement | 0.0695 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| 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 |
|---|---|---|---|
| 267794 (current) | 2021-07-29 | cif/ Adding structures of 1564261 via cif-deposit CGI script. |
1564261.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.