Information card for entry 7121762

Structure parameters

• Formula: C17 H13 F3 O
• Calculated formula: C17 H13 F3 O
• Title of publication: Divergent synthesis of CF₃-substituted polycyclic skeletons based on control of activation site of acid catalysts.
• Authors of publication: Yokoo, Kazuma; Mori, Keiji
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 50
• Pages of publication: 6927 - 6930
• a: 12.9659 ± 0.0017 Å
• b: 8.4037 ± 0.0011 Å
• c: 12.8931 ± 0.0017 Å
• α: 90°
• β: 113.171 ± 0.001°
• γ: 90°
• Cell volume: 1291.5 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0439
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No