Information card for entry 2006848

Structure parameters

• Chemical name: Ethylammonium Di(benzenesulfonyl)amide: 1,4,7,10,13,16-Hexaoxacyclooctadecane (1:1)
• Formula: C26 H42 N2 O10 S2
• Calculated formula: C26 H42 N2 O10 S2
• SMILES: C1COCCOCCOCCOCCOCCO1.[NH3+]CC.[N-](S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
• Title of publication: Polysulfonylamines. XCI. Ethylammonium Di(benzenesulfonyl)amide 1,4,7,10,13,16-Hexaoxacyclooctadecane (1/1/1)
• Authors of publication: Henschel, Dagmar; Blaschette, Armand; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1875 - 1877
• a: 13.237 ± 0.003 Å
• b: 8.309 ± 0.002 Å
• c: 13.954 ± 0.004 Å
• α: 90°
• β: 104.17 ± 0.03°
• γ: 90°
• Cell volume: 1488.1 ± 0.7 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for all reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.0756
• Goodness-of-fit parameter for all reflections: 1.042
• Goodness-of-fit parameter for significantly intense reflections: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No