Information card for entry 4029055

Structure parameters

• Formula: C29 H20 F3 N O
• Calculated formula: C29 H20 F3 N O
• SMILES: FC(F)(F)c1ccc(C(=C(\c2ccccc2)c2ccc(cc2)C#N)/c2ccc(OC)cc2)cc1
• Title of publication: Selective synthesis of multisubstituted olefins utilizing gem- and vic-diborylated vinylsilanes prepared by silylborylation of an alkynylboronate and diborylation of alkynylsilanes.
• Authors of publication: Jiao, Jiao; Hyodo, Keita; Hu, Hao; Nakajima, Kiyohiko; Nishihara, Yasushi
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 1
• Pages of publication: 285 - 295
• a: 10.299 ± 0.004 Å
• b: 12.07 ± 0.006 Å
• c: 19.582 ± 0.006 Å
• α: 89.885 ± 0.015°
• β: 86.412 ± 0.013°
• γ: 78.391 ± 0.017°
• Cell volume: 2379.6 ± 1.7 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1988
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1889
• Weighted residual factors for all reflections included in the refinement: 0.246
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No