Information card for entry 2209799

Structure parameters

• Chemical name: DL-valinium trifluoroacetate
• Formula: C7 H12 F3 N O4
• Calculated formula: C7 H12 F3 N O4
• Title of publication: <small>DL</small>-Valinium trifluoroacetate
• Authors of publication: J. Suresh; S. Natarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3331 - o3333
• a: 6.7282 ± 0.0006 Å
• b: 9.083 ± 0.0004 Å
• c: 9.2148 ± 0.0007 Å
• α: 98.46 ± 0.001°
• β: 91.99 ± 0.001°
• γ: 101.05 ± 0.002°
• Cell volume: 545.53 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1693
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.1994
• Weighted residual factors for all reflections included in the refinement: 0.2551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes