Information card for entry 2006851

Structure parameters

• Chemical name: (1,2-Benzenedisulfonylimido-N,O)(1,4,7,10,13-pentaoxacyclododecane)sodium
• Formula: C16 H24 N Na O9 S2
• Calculated formula: C16 H24 N Na O9 S2
• SMILES: [Na+].S1(=O)(=O)[N-]S(=O)(=O)c2c1cccc2.O1CCOCCOCCOCCOCC1
• Title of publication: Polysulfonylamines. XCV. (1,2-Benzenedisulfonylimido-<i>N</i>,<i>O</i>)(1,4,7,10,13-pentaoxacyclopentadecane-κ^5^<i>O</i>)sodium
• Authors of publication: Jones, Peter G.; Moers, Oliver; Blaschette, Armand
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1811 - 1813
• a: 14.963 ± 0.004 Å
• b: 9.78 ± 0.003 Å
• c: 15.734 ± 0.005 Å
• α: 90°
• β: 115.76 ± 0.02°
• γ: 90°
• Cell volume: 2073.7 ± 1.1 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• 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: 0.0686
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections: 0.1173
• Weighted residual factors for significantly intense reflections: 0.1022
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for significantly intense reflections: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No