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Information card for entry 4105346
Preview
Coordinates | 4105346.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H21 N O6 |
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Calculated formula | C19 H21 N O6 |
SMILES | O1[C@@H](C[C@]23C=CC(=O)C[C@H]2[C@@H](Cc2ccc(c1c32)OC)N(=O)=O)OCC.O1[C@H](C[C@@]23C=CC(=O)C[C@@H]2[C@H](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 | 8.7189 ± 0.0002 Å |
b | 9.8011 ± 0.0003 Å |
c | 11.0087 ± 0.0003 Å |
α | 106.745 ± 0.001° |
β | 92.89 ± 0.001° |
γ | 109.487 ± 0.001° |
Cell volume | 837.99 ± 0.04 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0578 |
Residual factor for significantly intense reflections | 0.0386 |
Weighted residual factors for significantly intense reflections | 0.0903 |
Weighted residual factors for all reflections included in the refinement | 0.102 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
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/4105346.html
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Users of the data should acknowledge the original authors of the
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