Information card for entry 7119787

Structure parameters

• Formula: C15 H14 F8 I N O3 S2
• Calculated formula: C15 H14 F8 I N O3 S2
• SMILES: [I+](c1cnc(S(F)(F)(F)(F)F)cc1)c1c(cc(cc1C)C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: SF5-Pyridylaryl-λ(3)-iodonium salts and their utility as electrophilic reagents to access SF5-pyridine derivatives in the late-stage of synthesis.
• Authors of publication: Das, Prajwalita; Takada, Masahiro; Matsuzaki, Kohei; Saito, Norimichi; Shibata, Norio
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 27
• Pages of publication: 3850 - 3853
• a: 8.39686 ± 0.00015 Å
• b: 21.2421 ± 0.0004 Å
• c: 23.0334 ± 0.0005 Å
• α: 90°
• β: 90.312 ± 0.0007°
• γ: 90°
• Cell volume: 4108.34 ± 0.14 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No