Information card for entry 1568074

Structure parameters

• Formula: C66 H58 F16 S8
• Calculated formula: C48 H16 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: 34.3683 ± 0.0007 Å
• b: 28.4432 ± 0.0005 Å
• c: 5.4447 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5322.44 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1794
• Weighted residual factors for all reflections included in the refinement: 0.1926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No