Information card for entry 1559500

Structure parameters

• Common name: 3,5-Dibromo-7,7a-dimethyl-2,4-diphenyl-cis-3a,7a-dihydrobenzo[b]thiophene 1,1-Dioxide
• Formula: C22 H18 Br2 O2 S
• Calculated formula: C22 Br2 O2 S
• Title of publication: Further Examples of Tandem Dimerization Ring-Opening of Substituted 3-Bromothiophene 1,1-Dioxides. Preparation of Trisubstituted Benzenes. X-Ray Structure Determination of 3,5-Dibromo-7,7a-dimethyl-2,4-diphenyl- cis-3a,7a-dihydrobenzo[b]thiophene 1,1-Dioxide
• Authors of publication: Gronowitz, Salo; Nikitidis, Grigorios; Hallberg, Anders; Stalhandske, Claes
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1991
• Journal volume: 45
• Pages of publication: 636 - 643
• a: 10.613 ± 0.003 Å
• b: 18.46 ± 0.004 Å
• c: 11.438 ± 0.002 Å
• α: 90°
• β: 112.49 ± 0.02°
• γ: 90°
• Cell volume: 2070.5 ± 0.9 ų
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No