Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4108831
Preview
Coordinates | 4108831.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (1R,2R)-[3-Oxo-2-(2-oxo-oxazolidine-3-carbonyl) -1-phenyl-butyl]-carbamic acid benzyl ester |
---|---|
Formula | C22 H22 N2 O6 |
Calculated formula | C22 H22 N2 O6 |
SMILES | [C@H](c1ccccc1)([C@H](C(=O)C)C(=O)N1C(=O)OCC1)NC(=O)OCc1ccccc1 |
Title of publication | Pyridinium 1,1'-Binaphthyl-2,2'-disulfonates as Highly Effective Chiral Brønsted Acid-Base Combined Salt Catalysts for Enantioselective Mannich-Type Reaction |
Authors of publication | Manabu Hatano; Toshikatsu Maki; Katsuhiko Moriyama; Manabu Arinobe; Kazuaki Ishihara |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 16858 - 16860 |
a | 9.9855 ± 0.0017 Å |
b | 8.2071 ± 0.0014 Å |
c | 24.322 ± 0.004 Å |
α | 90° |
β | 90.099 ± 0.003° |
γ | 90° |
Cell volume | 1993.2 ± 0.6 Å3 |
Cell temperature | 203 ± 2 K |
Ambient diffraction temperature | 203 ± 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 | 0.0386 |
Residual factor for significantly intense reflections | 0.0355 |
Weighted residual factors for significantly intense reflections | 0.0885 |
Weighted residual factors for all reflections included in the refinement | 0.0908 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4108831.html
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.