Information card for entry 4032825

Structure parameters

• Formula: C18 H23 O7.5
• Calculated formula: C18 H23 O7.5
• SMILES: O[C@@H]1[C@@H](OC)C=C([C@H]2OC(O[C@@H]12)(C)C)c1c(O)c(OC)cc(c1)C=O.O
• Title of publication: The Synthesis of Certain Derivatives and Analogues of (-)- and (+)-Galanthamine and an Assessment of their Capacities to Inhibit Acetylcholine Esterase.
• Authors of publication: Buckler, Joshua N.; Taher, Ehab S.; Fraser, Nicolas J.; Willis, Anthony C.; Carr, Paul D.; Jackson, Colin J.; Banwell, Martin G.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 15
• Pages of publication: 7869 - 7886
• a: 7.3153 ± 0.0001 Å
• b: 31.4358 ± 0.0003 Å
• c: 7.8245 ± 0.0001 Å
• α: 90°
• β: 94.8743 ± 0.0008°
• γ: 90°
• Cell volume: 1792.83 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for all reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No