Information card for entry 7123968

Structure parameters

• Formula: C15 H11 F3
• Calculated formula: C15 H11 F3
• Title of publication: Fluorine containing cyclopropanes: Synthesis of aryl substituted all-cis 1,2,3-trifluorocylopropanes, a facially polar motif
• Authors of publication: O'Hagan, David; Fang, Zeguo; Cordes, David Bradford; Slawin, Alexandra
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 8.3714 ± 0.0007 Å
• b: 13.6749 ± 0.0007 Å
• c: 16.118 ± 0.0008 Å
• α: 82.28 ± 0.004°
• β: 87.767 ± 0.005°
• γ: 73.097 ± 0.006°
• Cell volume: 1749.4 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1674
• Residual factor for significantly intense reflections: 0.0948
• Weighted residual factors for significantly intense reflections: 0.2188
• Weighted residual factors for all reflections included in the refinement: 0.2782
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No