Information card for entry 7130250

Structure parameters

• Formula: C14 H23 F5
• Calculated formula: C14 H23 F5
• 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: 5.5262 ± 0.0016 Å
• b: 70.03 ± 0.03 Å
• c: 11.417 ± 0.004 Å
• α: 90°
• β: 101.86 ± 0.03°
• γ: 90°
• Cell volume: 4324 ± 3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.3485
• Residual factor for significantly intense reflections: 0.1646
• Weighted residual factors for significantly intense reflections: 0.3423
• Weighted residual factors for all reflections included in the refinement: 0.4235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.438
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No