Information card for entry 2208432

Structure parameters

• Chemical name: N,N'-diphenylguanidinium phthalate
• Formula: C21 H19 N3 O4
• Calculated formula: C21 H19 N3 O4
• SMILES: N(C(=[NH2+])Nc1ccccc1)c1ccccc1.[O-]C(=O)c1ccccc1C(=O)O
• Title of publication: <i>N</i>,<i>N</i>'-Diphenylguanidinium phthalate
• Authors of publication: Pereira Silva, P. S.; Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o1067 - o1069
• a: 10.7714 ± 0.0012 Å
• b: 8.44 ± 0.002 Å
• c: 11.42 ± 0.003 Å
• α: 90°
• β: 112.172 ± 0.012°
• γ: 90°
• Cell volume: 961.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes