Information card for entry 4025307

Structure parameters

• Chemical name: 5-Thioniatelluroniabicyclo[3.3.0]octane bis(trifluoromethanesulfonate)
• Formula: C8 H12 F6 O6 S3 Te
• Calculated formula: C8 H12 F6 O6 S3 Te
• Title of publication: Electrochemical and Chemical Oxidation of Dithia-, Diselena-, Ditellura-, Selenathia-, and Tellurathiamesocycles and Stability of the Oxidized Species
• Authors of publication: Dennis H. Evans; Nadine E. Gruhn; Jin Jin; Bo Li; Edward Lorance; Noriko Okumura; Norma A. Macías-Ruvalcaba; Uzma I. Zakai; Shao-Zhong Zhang; Eric Block; Richard S. Glass
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 1997 - 2009
• a: 10.508 ± 0.0004 Å
• b: 10.2087 ± 0.0004 Å
• c: 16.4276 ± 0.0007 Å
• α: 90°
• β: 103.5 ± 0.001°
• γ: 90°
• Cell volume: 1713.55 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0385
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No