Information card for entry 2238391

Structure parameters

• Chemical name: 1,4,8,11-Tetraazoniacyclotetradecane tetrakis(hydrogensulfate)
• Formula: C10 H32 N4 O16 S4
• Calculated formula: C10 H32 N4 O16 S4
• SMILES: C1C[NH2+]CCC[NH2+]CC[NH2+]CCC[NH2+]1.[O-]S(=O)(=O)O.[O-]S(=O)(=O)O.O=S(=O)(O)[O-].O=S(=O)(O)[O-]
• Title of publication: 1,4,8,11-Tetraazoniacyclotetradecane tetrakis(hydrogensulfate)
• Authors of publication: Said, Salem; Mhadhbi, Noureddine; Hajlaoui, Fadhel; Bataille, Thierry; Naïli, Houcine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1278
• a: 7.8177 ± 0.0002 Å
• b: 16.6464 ± 0.0003 Å
• c: 8.7222 ± 0.0002 Å
• α: 90°
• β: 97.165 ± 0.001°
• γ: 90°
• Cell volume: 1126.21 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.052
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes