Information card for entry 7157967

Structure parameters

• Formula: C27 H23 N O S
• Calculated formula: C27 H23 N O S
• SMILES: S1(=O)(=NC(c2ccc(cc2)C)c2ccc(cc2)C)c2c(c3ccccc13)cccc2
• 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: 9.6947 ± 0.0003 Å
• b: 10.8404 ± 0.0003 Å
• c: 12.192 ± 0.0004 Å
• α: 99.164 ± 0.001°
• β: 113.438 ± 0.001°
• γ: 109.745 ± 0.001°
• Cell volume: 1040.54 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No