Information card for entry 2013052

Structure parameters

• Common name: glycine trifluoroacetate
• Chemical name: Glycinium trifluoroacetate
• Formula: C4 H6 F3 N O4
• Calculated formula: C4 H6 F3 N O4
• Title of publication: Glycinium trifluoroacetate
• Authors of publication: Rodrigues, V. H.; Paixão, J. A.; Costa, M. M. R. R.; Matos Beja, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: o658 - o660
• a: 4.9598 ± 0.0006 Å
• b: 12.239 ± 0.002 Å
• c: 12.015 ± 0.008 Å
• α: 90°
• β: 106.67 ± 0.07°
• γ: 90°
• Cell volume: 698.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes