Information card for entry 7150180

Structure parameters

• Chemical name: (R,R) N-(1-tert-Butyl-3,3-dimethyl-2-trifluoromethanesulfonylamino-butyl)- C,C,C-trifluoro-methanesulfonamide
• Formula: C12 H22 F6 N2 O4 S2
• Calculated formula: C12 H22 F6 N2 O4 S2
• Title of publication: Enantioselective Friedel-Crafts type addition of indoles to nitro-olefins using a chiral hydrogen-bonding catalyst‒synthesis of optically active tetrahydro-beta-carbolines.
• Authors of publication: Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 14
• Pages of publication: 2566 - 2571
• a: 12.2564 ± 0.0003 Å
• b: 12.2564 ± 0.0003 Å
• c: 13.4713 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2023.65 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 91
• Hermann-Mauguin space group symbol: P 41 2 2
• Hall space group symbol: P 4w 2c
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No