Information card for entry 7157953

Structure parameters

• Formula: C26 H18 F3 N O3 S2
• Calculated formula: C26 H18 F3 N O3 S2
• SMILES: [S+]1(N=C(c2ccccc2)c2ccccc2)c2c(c3c1cccc3)cccc2.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: 5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.
• Authors of publication: Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 13
• Pages of publication: 2941 - 2948
• a: 32.2922 ± 0.0019 Å
• b: 8.2812 ± 0.0005 Å
• c: 18.3803 ± 0.0009 Å
• α: 90°
• β: 111.542 ± 0.002°
• γ: 90°
• Cell volume: 4571.9 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No