Information card for entry 7157962

Structure parameters

• Formula: C32 H22 F3 N O3 S2
• Calculated formula: C32 H22 F3 N O3 S2
• SMILES: [S+]1(/N=C(/c2ccccc2)c2c(cccc2)c2ccccc2)c2c(c3c1cccc3)cccc2.O=S(=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: 10.266 ± 0.002 Å
• b: 10.436 ± 0.002 Å
• c: 13.703 ± 0.003 Å
• α: 77.481 ± 0.007°
• β: 74.186 ± 0.007°
• γ: 87.828 ± 0.008°
• Cell volume: 1378.6 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No