Information card for entry 7117645

Structure parameters

• Formula: C15 H10 F3 N O2
• Calculated formula: C15 H10 F3 N O2
• SMILES: c1(c(ccc(c1)C(F)(F)F)C(=C)c1ccccc1)N(=O)=O
• Title of publication: Palladium-catalyzed cross-coupling of aryl fluorides with N-tosylhydrazones via C-F bond activation
• Authors of publication: Haiqing Luo; Guojiao Wu; Shuai Xu; Kang Wang; Chaoqiang Wu; Yan Zhang; Jianbo Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 13321
• a: 5.8037 ± 0.0006 Å
• b: 15.049 ± 0.0014 Å
• c: 15.033 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1313 ± 0.3 ų
• Cell temperature: 180.01 ± 0.1 K
• Ambient diffraction temperature: 180.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No