Information card for entry 2213163

Structure parameters

• Chemical name: N,N',N''-Triphenylguanidinium hydrogensulfate
• Formula: C19 H19 N3 O4 S
• Calculated formula: C19 H19 N3 O4 S
• SMILES: S(=O)(=O)(O)[O-].[NH+](=C(Nc1ccccc1)Nc1ccccc1)c1ccccc1
• Title of publication: <i>N</i>,<i>N</i>',<i>N</i>''-Triphenylguanidinium hydrogensulfate
• Authors of publication: Pereira Silva, P. S.; Ramos Silva, M.; Paixão, J. A.; Matos Beja, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2243 - o2245
• a: 12.2053 ± 0.0005 Å
• b: 9.4116 ± 0.0004 Å
• c: 20.2984 ± 0.0007 Å
• α: 90°
• β: 126.765 ± 0.0015°
• γ: 90°
• Cell volume: 1867.91 ± 0.13 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: 0.0509
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes