Information card for entry 2209422

Structure parameters

• Chemical name: N,N',N''-triphenylguanidinium nitrate
• Formula: C19 H18 N4 O3
• Calculated formula: C19 H18 N4 O3
• SMILES: N(C(=[NH+]c1ccccc1)Nc1ccccc1)c1ccccc1.O=N(=O)[O-]
• Title of publication: <i>N</i>,<i>N</i>',<i>N</i>'''-Triphenylguanidinium nitrate
• Authors of publication: Pereira Silva, P. S.; Paixão, J. A.; Ramos Silva, M.; Matos Beja, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o3073 - o3075
• a: 9.783 ± 0.003 Å
• b: 13.849 ± 0.003 Å
• c: 14.237 ± 0.003 Å
• α: 76.285 ± 0.013°
• β: 89.264 ± 0.012°
• γ: 75.609 ± 0.012°
• Cell volume: 1812.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1199
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes