Information card for entry 4134608

Structure parameters

• Formula: C16 H17 F3
• Calculated formula: C15.9993 H17 F2.99775
• Title of publication: Enantioselective Tail-to-Head Cyclizations Catalyzed by Dual-Hydrogen-Bond Donors.
• Authors of publication: Kutateladze, Dennis A.; Strassfeld, Daniel A.; Jacobsen, Eric N.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 7.9199 ± 0.0002 Å
• b: 11.2795 ± 0.0003 Å
• c: 14.9844 ± 0.0004 Å
• α: 91.4157 ± 0.0017°
• β: 90.3788 ± 0.0019°
• γ: 90.853 ± 0.002°
• Cell volume: 1338 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0602
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No