Information card for entry 2215104

Structure parameters

• Chemical name: N,N'-Dibenzylethane-1,2-diammonium dinitrate
• Formula: C16 H22 N4 O6
• Calculated formula: C16 H22 N4 O6
• SMILES: c1(ccccc1)C[NH2+]CC[NH2+]Cc1ccccc1.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: <i>N</i>,<i>N</i>'-Dibenzylethane-1,2-diammonium dinitrate
• Authors of publication: Liu, Yu-Fen; Xia, Hai-Tao; Wang, Da-Qi; Yang, Shu-Ping; Meng, Yong-Lu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3836 - o3836
• a: 5.7889 ± 0.0015 Å
• b: 5.5654 ± 0.0014 Å
• c: 29.858 ± 0.003 Å
• α: 90°
• β: 91.638 ± 0.003°
• γ: 90°
• Cell volume: 961.6 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.115
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1903
• Weighted residual factors for all reflections included in the refinement: 0.2153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes