Information card for entry 7120282

Structure parameters

• Formula: C30 H18 Br Cl F3 N O7
• Calculated formula: C30 H18 Br Cl F3 N O7
• Title of publication: An Enantioselective Cascade for Simultaneous Generation of Five Quaternary Stereocenters from Fully Substituted Enones
• Authors of publication: Yang, Shu-Mei; Ganapuram, Madhusudhan Reddy; Wang, Tzu-Ping; Yeh, Yu-Sheng; Wang, Min; Lin, Wenwei
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 11.2302 ± 0.0002 Å
• b: 11.2302 ± 0.0002 Å
• c: 76.8595 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8394.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No