Information card for entry 1542943

Structure parameters

• Formula: C23 H17 F4 N O
• Calculated formula: C23 H17 F4 N O
• SMILES: Fc1c(CC2(C(=O)N(Cc3ccccc3)c3c2cccc3)C)c(F)c(F)cc1F
• Title of publication: Palladium-Catalyzed Domino Heck/Intermolecular C-H Bond Functionalization: Efficient Synthesis of Alkylated Polyfluoroarene Derivatives.
• Authors of publication: Wu, Xin-Xing; Chen, Wen-Long; Shen, Yi; Chen, Si; Xu, Peng-Fei; Liang, Yong-Min
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 8
• Pages of publication: 1784 - 1787
• a: 13.0334 ± 0.0006 Å
• b: 8.6509 ± 0.0004 Å
• c: 17.4221 ± 0.0011 Å
• α: 90°
• β: 101.862 ± 0.005°
• γ: 90°
• Cell volume: 1922.41 ± 0.18 ų
• Cell temperature: 293.6 ± 0.1 K
• Ambient diffraction temperature: 293.6 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1333
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.2076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No