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Information card for entry 4105345
Preview
| Coordinates | 4105345.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4105345.cif |
| 178799 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/53. |
4105345.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4105345.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4105345.cif |
| 30540 | 2011-11-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4105345 via cif-deposit CGI script. |
4105345.cif |
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Users of the data should acknowledge the original authors of the
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