Information card for entry 2008325

Structure parameters

• Formula: C14 H34 N2 O11 S2
• Calculated formula: C14 H34 N2 O11 S2
• SMILES: [N-](S(=O)(=O)C)S(=O)(=O)C.C1COCCOCCOCCOCCOCCO1.[NH3+]O
• Title of publication: Polysulfonylamines. CX. Hydroxylammonium di(methanesulfonyl)amidate 1,4,7,10,13,16-hexaoxacyclooctadecane (1/1/1) and 2-aminopyridinium di(methanesulfonyl)amidate 1,4,7,10,13,16-hexaoxacyclooctadecane (1/1/1)
• Authors of publication: Henschel, Dagmar; Wijaya, Karna; Jones, Peter G.; Blaschette, Armand
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 664 - 668
• a: 18.5888 ± 0.0012 Å
• b: 8.1378 ± 0.001 Å
• c: 28.964 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4381.4 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No