Information card for entry 2214946

Structure parameters

• Chemical name: N,N'-Bis(3,4-methenedioxybenzyl)ethane-1,2-diammonium dinitrate
• Formula: C18 H22 N4 O10
• Calculated formula: C18 H22 N4 O10
• SMILES: c1(cc2c(OCO2)cc1)C[NH2+]CC[NH2+]Cc1cc2c(cc1)OCO2.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: <i>N</i>,<i>N</i>'-Bis(3,4-methenedioxybenzyl)ethane-1,2-diammonium dinitrate: hydrogen-bonded chains of rings
• Authors of publication: Yang, Shu-Ping; Wang, Da-Qi; Han, Li-Jun; Xia, Hai-Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3809 - o3809
• a: 33.59 ± 0.003 Å
• b: 5.6421 ± 0.0008 Å
• c: 11.4747 ± 0.0015 Å
• α: 90°
• β: 107.326 ± 0.002°
• γ: 90°
• Cell volume: 2076 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.1017
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes