Information card for entry 2209573

Structure parameters

• Chemical name: L-argininium trifluoroacetic acid
• Formula: C8 H15 F3 N4 O4
• Calculated formula: C8 H15 F3 N4 O4
• SMILES: O=C([O-])[C@@H](CCCNC(=[NH2+])N)[NH3+].FC(F)(F)C(=O)[O-]
• Title of publication: <small>L</small>-Argininium trifluoroacetate
• Authors of publication: J. Suresh; R. V. Krishnakumar; S. Natarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o3127 - o3129
• a: 10.586 ± 0.0006 Å
• b: 5.688 ± 0.0004 Å
• c: 10.878 ± 0.0007 Å
• α: 90°
• β: 106.77 ± 0.001°
• γ: 90°
• Cell volume: 627.14 ± 0.07 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes