Information card for entry 1504861

Structure parameters

• Formula: C22 H8 F8 N2 O2 S2
• Calculated formula: C22 H8 F8 N2 O2 S2
• Title of publication: Benzodichalcogenophenes with perfluoroarene termini.
• Authors of publication: Wang, Yongfeng; Parkin, Sean R.; Watson, Mark D.
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 20
• Pages of publication: 4421 - 4424
• a: 9.9914 ± 0.0007 Å
• b: 4.9183 ± 0.0004 Å
• c: 21.0138 ± 0.0016 Å
• α: 90°
• β: 102.932 ± 0.005°
• γ: 90°
• Cell volume: 1006.44 ± 0.13 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No