Information card for entry 4032676

Structure parameters

• Formula: C23 H31 N O7
• Calculated formula: C23 H31 N O7
• SMILES: [C@H]12O[C@]([C@@](O[C@@H]1[C@@H]1[C@](C=C2)(c2c(O1)c(ccc2)OC)CC(=O)N(C)C)(C)OC)(C)OC
• 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: 10.14845 ± 0.00009 Å
• b: 10.61199 ± 0.00007 Å
• c: 10.80864 ± 0.0001 Å
• α: 90°
• β: 106.88 ± 0.0009°
• γ: 90°
• Cell volume: 1113.89 ± 0.017 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for all reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0262
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No