Information card for entry 1504855

Structure parameters

• Formula: C46 H52 F10 O2 S2
• Calculated formula: C46 H52 F10 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: 4.6213 ± 0.0008 Å
• b: 15.382 ± 0.003 Å
• c: 15.43 ± 0.003 Å
• α: 82.659 ± 0.011°
• β: 85.21 ± 0.008°
• γ: 88.615 ± 0.01°
• Cell volume: 1083.9 ± 0.4 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1563
• Residual factor for significantly intense reflections: 0.1063
• Weighted residual factors for significantly intense reflections: 0.3197
• Weighted residual factors for all reflections included in the refinement: 0.3598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No