Information card for entry 7125732

Structure parameters

• Chemical name: 3,6-Bis(2,2-bis((trifluoromethyl)sulfonyl)ethyl)-9-ethyl-9H-carbazole
• Formula: C22 H17 F12 N O8 S4
• Calculated formula: C22 H17 F12 N O8 S4
• Title of publication: A catalyst-free bis(triflyl)ethylation/benzannulation reaction: rapid access to carbazole-based superacidic carbon acids from alkynols.
• Authors of publication: Martín-Mejías, Irene; Aragoncillo, Cristina; Yanai, Hikaru; Hoshikawa, Shoki; Fujimoto, Yuuki; Matsumoto, Takashi; Almendros, Pedro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 12
• Pages of publication: 1795 - 1798
• a: 10.7413 ± 0.0012 Å
• b: 11.0944 ± 0.0012 Å
• c: 13.5068 ± 0.0014 Å
• α: 86.34 ± 0.001°
• β: 69.593 ± 0.001°
• γ: 76.912 ± 0.001°
• Cell volume: 1469.2 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0577
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No