Information card for entry 1547299

Structure parameters

• Formula: C20 H13 F2 N3 O Pd
• Calculated formula: C20 H13 F2 N3 O Pd
• SMILES: C1[Pd]2([n]3cccc4cccc(c34)N2C(=O)C=1c1c(cccc1F)F)[N]#CC
• Title of publication: Stereoselective Synthesis of Z-Vinylsilanes via Palladium-Catalyzed Direct Intermolecular Silylation of C(sp(2))-H Bonds.
• Authors of publication: Pan, Jin-Long; Chen, Chao; Ma, Zhi-Gang; Zhou, Jia; Wang, Li-Ren; Zhang, Shu-Yu
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 19
• Pages of publication: 5216 - 5219
• a: 8.126 ± 0.0002 Å
• b: 20.9981 ± 0.0005 Å
• c: 11.7913 ± 0.0002 Å
• α: 90°
• β: 120.091 ± 0.001°
• γ: 90°
• Cell volume: 1740.81 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0218
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No