Information card for entry 4513167

Structure parameters

• Formula: C25 H33 N O6 S
• Calculated formula: C25 H33 N O6 S
• SMILES: S(=O)(=O)([O-])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: 15.1035 ± 0.0003 Å
• b: 9.3287 ± 0.0002 Å
• c: 34.9631 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4926.16 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No