Information card for entry 4135280

Structure parameters

• Formula: C69 H58 Cl2 F12 N4 O6
• Calculated formula: C69 H58 Cl2 F12 N4 O6
• Title of publication: Enantioselective Synthesis of Atropisomeric Anilides via Pd(II)-Catalyzed Asymmetric C-H Olefination.
• Authors of publication: Yao, Qi-Jun; Xie, Pei-Pei; Wu, Yong-Jie; Feng, Ya-Lan; Teng, Ming-Ya; Hong, Xin; Shi, Bing-Feng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 42
• Pages of publication: 18266 - 18276
• a: 8.9752 ± 0.0003 Å
• b: 12.9775 ± 0.0004 Å
• c: 14.8463 ± 0.0005 Å
• α: 71.874 ± 0.001°
• β: 85.865 ± 0.001°
• γ: 84.038 ± 0.001°
• Cell volume: 1633.08 ± 0.09 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No