Information card for entry 1504619

Structure parameters

• Formula: C20 F14 S2
• Calculated formula: C20 F14 S2
• SMILES: s1c2c(F)c(c(F)c(F)c2c2c1c(F)c1c3c(sc1c2F)c(F)c(c(F)c3F)C(F)(F)F)C(F)(F)F
• Title of publication: Highly fluorinated benzobisbenzothiophenes.
• Authors of publication: Wang, Yongfeng; Parkin, Sean R.; Gierschner, Johannes; Watson, Mark D.
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 15
• Pages of publication: 3307 - 3310
• a: 7.7116 ± 0.0015 Å
• b: 6.3972 ± 0.0013 Å
• c: 17.574 ± 0.003 Å
• α: 90°
• β: 98.04 ± 0.03°
• γ: 90°
• Cell volume: 858.5 ± 0.3 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 3
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.167
• Residual factor for significantly intense reflections: 0.1613
• Weighted residual factors for significantly intense reflections: 0.4731
• Weighted residual factors for all reflections included in the refinement: 0.4768
• Goodness-of-fit parameter for all reflections included in the refinement: 2.33
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No