Information card for entry 7125294

Structure parameters

• Common name: 4h
• Chemical name: 4h
• Formula: C21 H23 Br F3 N O6
• Calculated formula: C21 H23 Br F3 N O6
• Title of publication: Asymmetric synthesis of functionalized trifluoromethyl-substituted pyrrolidines via an organocatalytic domino Michael/Mannich [3+2] cycloaddition.
• Authors of publication: Zhi, Ying; Zhao, Kun; Liu, Qiang; Wang, Ai; Enders, Dieter
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 97
• Pages of publication: 14011 - 14014
• a: 8.6647 ± 0.0006 Å
• b: 15.3884 ± 0.0011 Å
• c: 17.0772 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2277 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No