Information card for entry 7131766

Structure parameters

• Formula: C20 H15 F2 N3 O8 S2
• Calculated formula: C20 H15 F2 N3 O8 S2
• Title of publication: N-Fluorobenzenesulfonimide (NFSI) analogs with deprotectable substituents: Synthesis of b-fluoroamines via catalytic aminofluorination of styrenes
• Authors of publication: Ito, Yuki; Adachi, Akiya; Aikawa, Kohsuke; Nozaki, Kyoko; Okazoe, Takashi
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 16.5286 ± 0.0005 Å
• b: 8.3039 ± 0.0002 Å
• c: 16.6083 ± 0.0005 Å
• α: 90°
• β: 108.13 ± 0.003°
• γ: 90°
• Cell volume: 2166.35 ± 0.11 ų
• Cell temperature: 169.98 ± 0.1 K
• Ambient diffraction temperature: 170.15 K
• Number of distinct elements: 6
• 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: 0.0554
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No