Information card for entry 7122209

Structure parameters

• Formula: C22 H19 F2 N O2 S
• Calculated formula: C22 H19 F2 N O2 S
• Title of publication: Catalyst-free geminal aminofluorination of ortho-sulfonamide-tethered alkylidenecyclopropanes via a Wagner-Meerwein rearrangement.
• Authors of publication: Fan, Xing; Wang, Qiang; Wei, Yin; Shi, Min
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 74
• Pages of publication: 10503 - 10506
• a: 14.943 ± 0.003 Å
• b: 11.511 ± 0.002 Å
• c: 11.392 ± 0.002 Å
• α: 90°
• β: 98.266 ± 0.006°
• γ: 90°
• Cell volume: 1939.2 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0986
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No