Information card for entry 2212052

Structure parameters

• Chemical name: N,N',N''-Triphenylguanidinium trifluoroacetate
• Formula: C21 H18 F3 N3 O2
• Calculated formula: C21 H18 F2.997 N3 O2
• Title of publication: <i>N</i>,<i>N</i>',<i>N</i>''-Triphenylguanidinium trifluoroacetate
• Authors of publication: Pereira Silva, P. S.; Cardoso, C.; Ramos Silva, M.; Paixão, J. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o501 - o503
• a: 9.9905 ± 0.0008 Å
• b: 14.9348 ± 0.0013 Å
• c: 14.1194 ± 0.001 Å
• α: 90°
• β: 104.052 ± 0.009°
• γ: 90°
• Cell volume: 2043.7 ± 0.3 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: 0.1981
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1849
• Weighted residual factors for all reflections included in the refinement: 0.2466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes