Information card for entry 2015687

Structure parameters

• Common name: Donepezilium oxalate trihydrate
• Chemical name: (R,S)-1-benzyl-4[(5,6-dimethoxy-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl] piperidinium hydrogen oxalate trihydrate
• Formula: C26 H37 N O10
• Calculated formula: C26 H37 N O10
• Title of publication: Donepezilium oxalate trihydrate, a therapeutic agent for Alzheimer's disease
• Authors of publication: K. Ravikumar; B. Sridhar; D. G. Sathe; A. V. Naidu; K. D. Sawant
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o681 - o683
• a: 8.5002 ± 0.0005 Å
• b: 17.6318 ± 0.001 Å
• c: 18.2158 ± 0.001 Å
• α: 90°
• β: 97.744 ± 0.001°
• γ: 90°
• Cell volume: 2705.2 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0511
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes