Information card for entry 1568078

Structure parameters

• Formula: C49 H17 Cl3 F16 S8
• Calculated formula: C49 H17 Cl3 F16 S8
• Title of publication: Catalysis enabled synthesis, structures, and reactivities of fluorinated S₈-corona[<i>n</i>]arenes (<i>n</i> = 8-12).
• Authors of publication: Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon
• Journal of publication: Chemical science
• Year of publication: 2022
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 70 - 77
• a: 6.7916 ± 0.0016 Å
• b: 13.818 ± 0.004 Å
• c: 15.064 ± 0.004 Å
• α: 78.57 ± 0.02°
• β: 81.39 ± 0.02°
• γ: 82.79 ± 0.02°
• Cell volume: 1363.3 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.2063
• Residual factor for significantly intense reflections: 0.1755
• Weighted residual factors for significantly intense reflections: 0.4535
• Weighted residual factors for all reflections included in the refinement: 0.4768
• Goodness-of-fit parameter for all reflections included in the refinement: 2.287
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No