Information card for entry 7122207

Structure parameters

• Formula: C22 H17 Br F N O2 S
• Calculated formula: C22 H17 Br F 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: 10.0581 ± 0.0011 Å
• b: 11.341 ± 0.0012 Å
• c: 17.3605 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1980.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0541
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No