Information card for entry 1567019

Structure parameters

• Formula: C12 H13 F2 N O
• Calculated formula: C12 H13 F2 N O
• Title of publication: Catalytic intramolecular aminoarylation of unactivated alkenes with aryl sulfonamides
• Authors of publication: Noten, Efrey A.; McAtee, Rory C.; Stephenson, Corey R. J.
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 7.32492 ± 0.00006 Å
• b: 7.77679 ± 0.00005 Å
• c: 18.6427 ± 0.00013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1061.97 ± 0.013 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 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: 0.0271
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No