Information card for entry 2006815

Structure parameters

• Chemical name: (1,2-Benzenedisulfonylimido-O)(1,4,7,10-tetraoxacyclododecane)lithium
• Formula: C14 H20 Li N O8 S2
• Calculated formula: C14 H20 Li N O8 S2
• SMILES: [Li]123(OS4(c5c(cccc5)S(=O)(=O)N=4)=O)[O]4CC[O]1CC[O]2CC[O]3CC4
• Title of publication: Polysulfonylamines. XCIII. (1,2-Benzenedisulfonylimido-<i>O</i>)(1,4,7,10-tetraoxacyclododecane-κ^4^<i>O</i>)lithium
• 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: 1809 - 1811
• a: 8.2035 ± 0.0016 Å
• b: 15.747 ± 0.003 Å
• c: 13.842 ± 0.003 Å
• α: 90°
• β: 93.638 ± 0.016°
• γ: 90°
• Cell volume: 1784.5 ± 0.6 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: 0.045
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for all reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.0787
• Goodness-of-fit parameter for all reflections: 1.05
• Goodness-of-fit parameter for significantly intense reflections: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No