Information card for entry 1507060

Structure parameters

• Chemical name: 8-Thiabicyclo[3.2.1]octa-2,6-diene 8,8-dioxide
• Formula: C7 H8 O2 S2
• Calculated formula: C7 H5 O2 S
• Title of publication: First isolation of eclipsed vic-disulfoxide: 7,8-dithiabicyclo[4.2.1]nona-2,4-diene 7-exo,8-exo-dioxide.
• Authors of publication: Ishii, Akihiko; Kashiura, Satoshi; Oshida, Hideaki; Nakayama, Juzo
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 15
• Pages of publication: 2623 - 2626
• a: 25.122 ± 0.008 Å
• b: 7.078 ± 0.002 Å
• c: 7.922 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1408.6 ± 0.8 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0934
• Weighted residual factors for significantly intense reflections: 0.244
• Weighted residual factors for all reflections included in the refinement: 0.2494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No