Information card for entry 2007308

Structure parameters

• Chemical name: 1,4,7,10-Tetraoxacyclododecane Di(benzenesulfonyl)amine (1:2)
• Formula: C32 H38 N2 O12 S4
• Calculated formula: C32 H38 N2 O12 S4
• SMILES: O1CCOCCOCCOCC1.O=S(=O)(c1ccccc1)NS(=O)(=O)c1ccccc1.O=S(=O)(c1ccccc1)NS(=O)(=O)c1ccccc1
• Title of publication: Polysulfonylamines. CI. 1,4,7,10-Tetraoxacyclododecane–Di(benzenesulfonyl)amine (1/2)
• Authors of publication: Wijaya, Karna; Moers, Oliver; Jones, Peter G.; Blaschette, Armand
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 818 - 820
• a: 10.2947 ± 0.001 Å
• b: 16.368 ± 0.002 Å
• c: 10.3822 ± 0.001 Å
• α: 90°
• β: 96.845 ± 0.01°
• γ: 90°
• Cell volume: 1737 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.037
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.07
• Goodness-of-fit parameter for all reflections: 1.037
• Goodness-of-fit parameter for significantly intense reflections: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No