Information card for entry 7156579

Structure parameters

• Formula: C56 H68 B4 F12 K4 O8
• Calculated formula: C56 H68 B4 F12 K4 O8
• Title of publication: Copper-catalyzed diastereoselective synthesis of β-boryl-α-quaternary carbon carboxylic esters.
• Authors of publication: Zuo, Ya-Jie; Zhong, Zhuoran; Fan, Yinkun; Li, Xiangyu; Chen, Xiaolu; Chang, Yuwei; Song, Ruihu; Fu, Xinpeng; Zhang, Anling; Zhong, Chong-Min
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 47
• Pages of publication: 9237 - 9242
• a: 8.49 ± 0.003 Å
• b: 14.116 ± 0.006 Å
• c: 27.185 ± 0.011 Å
• α: 98.118 ± 0.01°
• β: 91.155 ± 0.01°
• γ: 106.64 ± 0.01°
• Cell volume: 3084 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 196 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1196
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No