Information card for entry 7157955

Structure parameters

• Formula: C27 H27 N3 O2
• Calculated formula: C27 H27 N3 O2
• 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: 10.1835 ± 0.0013 Å
• b: 10.1873 ± 0.0012 Å
• c: 12.0324 ± 0.0013 Å
• α: 73.061 ± 0.004°
• β: 85.268 ± 0.005°
• γ: 71.102 ± 0.004°
• Cell volume: 1129.7 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No