Information card for entry 7217637

Structure parameters

• Formula: C18 H16 B F2 N O3
• Calculated formula: C18 H16 B F2 N O3
• SMILES: O1C2=C(C(c3cc(OC)ccc3N2)c2ccccc2)C(=[O][B]1(F)F)C
• 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: 26.916 ± 0.003 Å
• b: 8.0515 ± 0.0009 Å
• c: 17.954 ± 0.002 Å
• α: 90°
• β: 123.571 ± 0.002°
• γ: 90°
• Cell volume: 3241.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1149
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No