Information card for entry 4513166

Structure parameters

• Formula: C30 H35 N O6 S
• Calculated formula: C30 H35 N O6 S
• SMILES: S(=O)(=O)([O-])c1ccccc1.[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: 8.2183 ± 0.0008 Å
• b: 12.4764 ± 0.0012 Å
• c: 27.31 ± 0.003 Å
• α: 90°
• β: 90.638 ± 0.007°
• γ: 90°
• Cell volume: 2800.1 ± 0.5 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: 0.1973
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.2254
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No