Information card for entry 2011277

Structure parameters

• Common name: sarcosinium trifluoroacetate
• Chemical name: N-methylglycinium trifluoroacetate
• Formula: C5 H8 F3 N O4
• Calculated formula: C5 H8 F3 N O4
• SMILES: C(=O)(O)C[NH2+]C.C(=O)([O-])C(F)(F)F
• Title of publication: Sarcosinium 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: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 1053 - 1055
• a: 14.5912 ± 0.0019 Å
• b: 7.0951 ± 0.0011 Å
• c: 15.8414 ± 0.0013 Å
• α: 90°
• β: 99.138 ± 0.008°
• γ: 90°
• Cell volume: 1619.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.071
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes