Information card for entry 4513165

Structure parameters

• Formula: C31 H37 N O6 S
• Calculated formula: C31 H37 N O6 S
• SMILES: S(=O)(=O)([O-])c1ccc(cc1)C.[NH+]1(CCC(CC1)CC1Cc2cc(c(cc2C1=O)OC)OC)Cc1ccccc1
• Title of publication: Sulfonic Acid Salts of Donepezil and Stabilization of Amorphous Donepezil via Formation of Amorphous Salts
• Authors of publication: Lee, Sun Hye; Bae, Jae Ho; Park, Yeojin; Adhikari, Bishal Raj; Mao, Chen; Kim, Daeyoung; Kim, Kyung Im; Kang, Sung Kwon; Lee, Eun Hee
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 7
• Pages of publication: 3123
• a: 8.4004 ± 0.0013 Å
• b: 12.2217 ± 0.0018 Å
• c: 27.844 ± 0.004 Å
• α: 90°
• β: 92.11 ± 0.003°
• γ: 90°
• Cell volume: 2856.7 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1247
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No