Information card for entry 7123972

Structure parameters

• Formula: C15 H10 F3 I
• Calculated formula: C15 H10 F3 I
• 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: 5.9337 ± 0.0005 Å
• b: 7.5484 ± 0.0008 Å
• c: 15.1871 ± 0.0013 Å
• α: 90°
• β: 96.119 ± 0.009°
• γ: 90°
• Cell volume: 676.35 ± 0.11 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1269
• Residual factor for significantly intense reflections: 0.1217
• Weighted residual factors for significantly intense reflections: 0.3049
• Weighted residual factors for all reflections included in the refinement: 0.3104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.341
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No