Information card for entry 2008684

Structure parameters

• Chemical name: N,N'-Diphenylguanidinium dihydrogen phosphate
• Formula: C13 H16 N3 O4 P
• Calculated formula: C13 H16 N3 O4 P
• SMILES: P(=O)([O-])(O)O.N(C(=[NH2+])Nc1ccccc1)c1ccccc1
• Title of publication: <i>N</i>,<i>N</i>'-Diphenylguanidinium dihydrogen phosphate
• Authors of publication: Pereira Silva, P. S.; Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 1096 - 1099
• a: 22.8032 ± 0.001 Å
• b: 7.639 ± 0.002 Å
• c: 16.986 ± 0.002 Å
• α: 90°
• β: 106.29 ± 0.01°
• γ: 90°
• Cell volume: 2840.1 ± 0.8 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: 0.042
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes