Information card for entry 7101356

Structure parameters

• Formula: C28 H30 F3 N2 O5
• Calculated formula: C28 H30 F3 N2 O5
• Title of publication: First Highly Stereoselective Synthesis of anti-alpha-Trifluoromethyl-beta-amino Acid Derivatives
• Authors of publication: Takashi Ishihara; Tsutomu Konno; Taichi Shimada; Masamitsu Yoshioka
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 34
• a: 29.527 ± 0.005 Å
• b: 6.3638 ± 0.0012 Å
• c: 14.506 ± 0.002 Å
• α: 90°
• β: 92.929 ± 0.013°
• γ: 90°
• Cell volume: 2722.1 ± 0.8 ų
• Cell temperature: 198.1 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No