Information card for entry 7123969

Structure parameters

• Formula: C15 H12 F2
• Calculated formula: C15 H12 F2
• 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: 15.873 ± 0.002 Å
• b: 5.6329 ± 0.0005 Å
• c: 25.223 ± 0.003 Å
• α: 90°
• β: 95.875 ± 0.011°
• γ: 90°
• Cell volume: 2243.4 ± 0.4 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: 0.1559
• Residual factor for significantly intense reflections: 0.1169
• Weighted residual factors for significantly intense reflections: 0.3267
• Weighted residual factors for all reflections included in the refinement: 0.351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No