Information card for entry 2007787

Structure parameters

• Chemical name: 1,4,7,1O,13,16-Hexaoxacyclooctadecane‒ Dimethyl Sulfoxide‒bis(4-fluorophenylsulfonyl)amine (1/2/2)
• Formula: C40 H54 F4 N2 O16 S6
• Calculated formula: C40 H54 F4 N2 O16 S6
• SMILES: O1CCOCCOCCOCCOCCOCC1.Fc1ccc(cc1)S(=O)(=O)NS(=O)(=O)c1ccc(cc1)F.Fc1ccc(cc1)S(=O)(=O)NS(=O)(=O)c1ccc(cc1)F.CS(=O)C.CS(=O)C
• Title of publication: Polysulfonylamines. CVI. 1,4,7,10,13,16-Hexaoxacyclooctadecane‒Dimethyl Sulfoxide‒Bis(4-fluorophenylsulfonyl)amine (1/2/2)
• Authors of publication: Wijaya, Karna; Moers, Oliver; Blaschette, Armand; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1707 - 1710
• a: 9.466 ± 0.003 Å
• b: 9.564 ± 0.003 Å
• c: 14.842 ± 0.006 Å
• α: 77.46 ± 0.03°
• β: 71.93 ± 0.03°
• γ: 73.94 ± 0.03°
• Cell volume: 1214.8 ± 0.8 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.081
• Goodness-of-fit parameter for all reflections: 1.061
• Goodness-of-fit parameter for significantly intense reflections: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No