Information card for entry 7122208

Structure parameters

• Formula: C25 H22 Br F3 N2 O3 S
• Calculated formula: C25 H22 Br F3 N2 O3 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: 14.399 ± 0.002 Å
• b: 9.6415 ± 0.0016 Å
• c: 17.024 ± 0.003 Å
• α: 90°
• β: 93.004 ± 0.004°
• γ: 90°
• Cell volume: 2360.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No