Information card for entry 7061177

Structure parameters

• Formula: C16 H6 F6 S
• Calculated formula: C16 H6 F6 S
• Title of publication: Cu-catalyzed [2 + 2 + 1] cascade annulation of vinyl iodonium salts with elemental sulfur/selenium for the modular synthesis of thiophenes and selenophenes
• Authors of publication: Wu, Yaxing; Wu, Chao; Wang, Fei; Chen, Chao
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 945 - 949
• a: 9.4232 ± 0.0004 Å
• b: 19.3491 ± 0.0008 Å
• c: 14.9248 ± 0.0007 Å
• α: 90°
• β: 103.331 ± 0.005°
• γ: 90°
• Cell volume: 2647.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.1229
• Residual factor for significantly intense reflections: 0.0912
• Weighted residual factors for significantly intense reflections: 0.1818
• Weighted residual factors for all reflections included in the refinement: 0.1897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.507
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No