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Information card for entry 4105344
Preview
Coordinates | 4105344.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H23 B N2 O4 |
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Calculated formula | C18 H23 B N2 O4 |
SMILES | O1[C@H]2CC(=O)C[C@H](O)[C@@]32CC[N]([BH2]C#N)(Cc2ccc(OC)c1c32)C.O1[C@@H]2CC(=O)C[C@@H](O)[C@]32CC[N]([BH2]C#N)(Cc2ccc(OC)c1c32)C |
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 | 27.2222 ± 0.0004 Å |
b | 6.6121 ± 0.0001 Å |
c | 19.9706 ± 0.0005 Å |
α | 90° |
β | 105.697 ± 0.001° |
γ | 90° |
Cell volume | 3460.57 ± 0.11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.2992 |
Residual factor for significantly intense reflections | 0.1482 |
Weighted residual factors for significantly intense reflections | 0.1543 |
Weighted residual factors for all reflections included in the refinement | 0.2138 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.753 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
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/4105344.html
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Users of the data should acknowledge the original authors of the
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