Information card for entry 7217638

Structure parameters

• Common name: 8-(2-Chlorophenyl)-2,2-difluoro-7-(4-methoxyphenyl)-4-methyl-7,8-dihydro-2H-[1,3,2]dioxaborinino[4,5-b]pyridin-1-ium-2-uide
• Formula: C45 H38 B2 Cl2 F4 N2 O6
• Calculated formula: C45 H32 B2 Cl2 F4 N2 O6
• Title of publication: BF3•Et2O-Mediated Intramolecular Cyclization of Unsaturated Amides: Convenient Synthesis of Dihydroquinolin-2-one-BF2 Complexes
• Authors of publication: Liu, Xu; Zhang, Qian; Xin, Xiaoqing; Zhang, Rui; Zhang, Ning; Liang, Yongjiu; Dong, Dewen
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 68
• Pages of publication: 36234 - 36240
• a: 7.643 ± 0.005 Å
• b: 12.269 ± 0.005 Å
• c: 12.84 ± 0.005 Å
• α: 101.954 ± 0.005°
• β: 104.028 ± 0.005°
• γ: 98.284 ± 0.005°
• Cell volume: 1118.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1055
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.2757
• Weighted residual factors for all reflections included in the refinement: 0.2992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No