Information card for entry 7123971

Structure parameters

• Formula: C15 H10 F2 O
• Calculated formula: C15 H10 F2 O
• 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: 5.9713 ± 0.0005 Å
• b: 7.3226 ± 0.0006 Å
• c: 26.183 ± 0.003 Å
• α: 90°
• β: 94.546 ± 0.009°
• γ: 90°
• Cell volume: 1141.26 ± 0.19 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• 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: 0.0868
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1993
• Weighted residual factors for all reflections included in the refinement: 0.2125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No