Information card for entry 7130252

Structure parameters

• Formula: C30 H51 F3
• Calculated formula: C30 H51 F3
• Title of publication: Janus faced fluorocyclohexanes for supramolecular assembly: Synthesis and solid state structures of equatorial mono-, di- and tri alkylated cyclohexanes and with tri-axial C-F bonds to impart polarity.
• Authors of publication: Poskin, Thomas J.; Piscelli, Bruno A.; Yoshida, Keigo; Cordes, David Bradford; Slawin, Alexandra; Cormanich, Rodrigo A.; Yamada, Shigeyuki; O'Hagan, David
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 22.2117 ± 0.0008 Å
• b: 4.7445 ± 0.00015 Å
• c: 26.2704 ± 0.0008 Å
• α: 90°
• β: 92.597 ± 0.003°
• γ: 90°
• Cell volume: 2765.62 ± 0.16 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0924
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.2372
• Weighted residual factors for all reflections included in the refinement: 0.2436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No