Information card for entry 1568076

Structure parameters

• Formula: C56 H32 F16 S8
• Calculated formula: C56 H32 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: 9.5286 ± 0.0002 Å
• b: 10.3554 ± 0.0002 Å
• c: 14.25 ± 0.0004 Å
• α: 75.54 ± 0.002°
• β: 89.177 ± 0.002°
• γ: 73.34 ± 0.002°
• Cell volume: 1301.9 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No