Information card for entry 4131882

Structure parameters

• Formula: C50 H39 F4 Ni P
• Calculated formula: C50 H39 F4 Ni P
• SMILES: [Ni]123([P](c4ccccc4)(c4ccccc4)c4ccccc4)C(F)(F)C(F)(F)CCC4(C1([c]12cccc[cH]31)C(=C4c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Nickel-Catalyzed Formation of 1,3-Dienes via a Highly Selective Cross-Tetramerization of Tetrafluoroethylene, Styrenes, Alkynes, and Ethylene.
• Authors of publication: Kawashima, Takuya; Ohashi, Masato; Ogoshi, Sensuke
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 49
• Pages of publication: 17795 - 17798
• a: 10.8594 ± 0.0011 Å
• b: 19.4976 ± 0.0016 Å
• c: 37.261 ± 0.003 Å
• α: 90°
• β: 96.961 ± 0.002°
• γ: 90°
• Cell volume: 7831.2 ± 1.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1206
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No