Information card for entry 2021870

Structure parameters

• Chemical name: N,N'-diphenylguanidinium nitrate
• Formula: C13 H14 N4 O3
• Calculated formula: C13 H14 N4 O3
• SMILES: O=N(=O)[O-].N(C(=[NH2+])Nc1ccccc1)c1ccccc1
• Title of publication: N,N'-Diphenylguanidinium Nitrate
• Authors of publication: Paixão, J. A.; Pereira Silva, P. S.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.
• Journal of publication: Acta Crystallographica Section C Crystal Structure Communications
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 805
• a: 17.02 ± 0.004 Å
• b: 13.906 ± 0.003 Å
• c: 5.811 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1375.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No