Information card for entry 2008326

Structure parameters

• Chemical name: 2-Aminopyridinium Di(methanesulfonyl)amidate 1,4,7,1O,13,16-Hexaoxacyclooctadecane (1/1/1)
• Formula: C19 H37 N3 O10 S2
• Calculated formula: C19 H37 N3 O10 S2
• SMILES: [N-](S(=O)(=O)C)S(=O)(=O)C.[nH+]1c(N)cccc1.C1COCCOCCOCCOCCOCCO1
• 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: 11.67 ± 0.003 Å
• b: 15.623 ± 0.005 Å
• c: 14.528 ± 0.004 Å
• α: 90°
• β: 108.74 ± 0.03°
• γ: 90°
• Cell volume: 2508.3 ± 1.3 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No