Information card for entry 1575312

Structure parameters

• Formula: C21 H18 F3 N O3
• Calculated formula: C21 H18 F3 N O3
• Title of publication: Cobalt-catalyzed diastereo- and enantioselective reductive coupling of cyclobutenes and aldehydes through umpolung reactivity.
• Authors of publication: Lin, Chuiyi; Zhang, Jiwu; Zhang, Zhihan; Chong, Qinglei; Meng, Fanke
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 35
• Pages of publication: 16250 - 16258
• a: 20.1984 ± 0.0005 Å
• b: 6.0121 ± 0.0005 Å
• c: 29.4619 ± 0.001 Å
• α: 90°
• β: 92.317 ± 0.003°
• γ: 90°
• Cell volume: 3574.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No