Information card for entry 2216934

Structure parameters

• Chemical name: 1-Isopropyl-4-tosylpiperazin-1-ium trifluoroacetate
• Formula: C16 H23 F3 N2 O4 S
• Calculated formula: C16 H23 F3 N2 O4 S
• Title of publication: 1-Isopropyl-4-tosylpiperazin-1-ium trifluoroacetate
• Authors of publication: Li, Jiang-Sheng; Yang, Dao-Wu; Liu, Wei-Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o22 - o22
• a: 11.659 ± 0.002 Å
• b: 8.4274 ± 0.0017 Å
• c: 19.404 ± 0.004 Å
• α: 90°
• β: 105.87 ± 0.03°
• γ: 90°
• Cell volume: 1833.9 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• 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: 0.0766
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes