Information card for entry 2239371

Structure parameters

• Chemical name: Bis(dicyclohexylammonium) sulfate dihydrate
• Formula: C24 H52 N2 O6 S
• Calculated formula: C24 H52 N2 O6 S
• SMILES: C1C(CCCC1)[NH2+]C1CCCCC1.S(=O)(=O)([O-])[O-].O.C1CCCCC1[NH2+]C1CCCCC1.O
• Title of publication: Bis(dicyclohexylammonium) sulfate dihydrate
• Authors of publication: Ndoye, Daouda; Sow, Mouhamadou M.; Diop, Libasse
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o237
• a: 12.437 ± 0.003 Å
• b: 12.437 ± 0.003 Å
• c: 17.29 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2674.4 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes