Information card for entry 4105343

Structure parameters

• Formula: C16 H16 O6
• Calculated formula: C16 H15.94 O6
• SMILES: O1[C@H]2CC(=O)C[C@@H]3O[C@@H](C[C@]23c2c(ccc(c12)OC)C=O)O.O1[C@@H]2CC(=O)C[C@H]3O[C@H](C[C@@]23c2c(ccc(c12)OC)C=O)O
• 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: 9.6329 ± 0.0002 Å
• b: 20.8917 ± 0.0006 Å
• c: 7.191 ± 0.0003 Å
• α: 90°
• β: 109.168 ± 0.0013°
• γ: 90°
• Cell volume: 1366.94 ± 0.08 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• 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: 0.064
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No