Information card for entry 1554917

Structure parameters

• Formula: C18 H16 F3 N O
• Calculated formula: C18 H16 F3 N O
• Title of publication: Bespoke SnAP reagents for the synthesis of C-substituted spirocyclic and bicyclic saturated N-heterocycles.
• Authors of publication: Geoghegan, Kimberly; Bode, Jeffrey W.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 8
• Pages of publication: 1934 - 1937
• a: 5.8836 ± 0.0004 Å
• b: 19.2027 ± 0.0012 Å
• c: 26.5181 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2996 ± 0.3 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No