Information card for entry 7122084

Structure parameters

• Chemical name: (2R*,3R*)-N-Benzyl-2-((S*)-1-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)glutarimide
• Formula: C18 H22 F3 N O3
• Calculated formula: C18 H22 F3 N O3
• Title of publication: Stereoselective aldol reactions using pseudo C₂ symmetric 1-benzyl-4-(trifluoromethyl)piperidine-2,6-dione.
• Authors of publication: Inoue, Yuta; Hatayama, Takahiro; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Kubota, Toshio; Yamazaki, Takashi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 71
• Pages of publication: 9913 - 9916
• a: 16.4371 ± 0.0009 Å
• b: 9.2127 ± 0.0004 Å
• c: 24.407 ± 0.0013 Å
• α: 90°
• β: 109.415 ± 0.006°
• γ: 90°
• Cell volume: 3485.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No