Information card for entry 1544028

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Diphenyl-4-methoxybenzamidinium nitrate
• Formula: C20 H19 N3 O4
• Calculated formula: C20 H19 N3 O4
• SMILES: N(C(=[NH+]c1ccccc1)c1ccc(OC)cc1)c1ccccc1.O=N(=O)[O-]
• Title of publication: <i>N</i>,<i>N</i>'-Diphenyl-4-methoxybenzamidinium nitrate
• Authors of publication: Silva, Renata S.; Sena, Jonathan X.; Rodrigues-Santos, Claudio Eduardo; Echevarria, Aurea; Guedes, Guilherme P.; Herbst, Marcelo H.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 9
• Pages of publication: x161392
• a: 8.9453 ± 0.0006 Å
• b: 24.8813 ± 0.0017 Å
• c: 17.3105 ± 0.0011 Å
• α: 90°
• β: 103.135 ± 0.002°
• γ: 90°
• Cell volume: 3752 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1157
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1756
• Weighted residual factors for all reflections included in the refinement: 0.2087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes