Information card for entry 7157372

Structure parameters

• Formula: C20 H32 F6
• Calculated formula: C20 H32 F6
• Title of publication: Probing the helical integrity of multivicinal all-syn-fluoro alkanes.
• Authors of publication: Al-Maharik, Nawaf; Cordes, David B.; Slawin, Alexandra M. Z.; Bühl, Michael; O'Hagan, David
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 5
• Pages of publication: 878 - 887
• a: 10.939 ± 0.007 Å
• b: 5.285 ± 0.003 Å
• c: 35.06 ± 0.03 Å
• α: 90°
• β: 95.01 ± 0.02°
• γ: 90°
• Cell volume: 2019 ± 2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0875
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1541
• Weighted residual factors for all reflections included in the refinement: 0.1613
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No