Information card for entry 2022817

Structure parameters

• Common name: Trihexyphenidylium 4-hydroxybenzoate
• Chemical name: 1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)piperidin-1-ium 4-hydroxybenzoate
• Formula: C27 H37 N O4
• Calculated formula: C27 H37 N O4
• Title of publication: Crystal structures of four organic salts of trihexyphenidyl at 90 K
• Authors of publication: Vinaya,; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 8
• a: 45.098 ± 0.002 Å
• b: 8.5314 ± 0.0005 Å
• c: 12.3516 ± 0.0006 Å
• α: 90°
• β: 101.789 ± 0.002°
• γ: 90°
• Cell volume: 4652 ± 0.4 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes