Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4105345
Preview
Coordinates | 4105345.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H19 N O6 |
---|---|
Calculated formula | C19 H19 N O6 |
SMILES | O1[C@H](C[C@@]23C=CC(=O)C[C@@H]2C(=Cc2ccc(c1c32)OC)N(=O)=O)OCC.O1[C@@H](C[C@]23C=CC(=O)C[C@H]2C(=Cc2ccc(c1c32)OC)N(=O)=O)OCC |
Title of publication | Concise Syntheses of (-)-Galanthamine and (\±)-Codeine via Intramolecular Alkylation of a Phenol Derivative |
Authors of publication | Philip Magnus; Neeraj Sane; Benjamin P. Fauber; Vince Lynch |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 16045 - 16047 |
a | 8.4748 ± 0.0002 Å |
b | 18.2912 ± 0.0004 Å |
c | 11.1855 ± 0.0003 Å |
α | 90° |
β | 95.346 ± 0.0009° |
γ | 90° |
Cell volume | 1726.37 ± 0.07 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0737 |
Residual factor for significantly intense reflections | 0.0445 |
Weighted residual factors for significantly intense reflections | 0.1018 |
Weighted residual factors for all reflections included in the refinement | 0.1162 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
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/4105345.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.