Information card for entry 4120801

Structure parameters

• Formula: C23 H21 F3 N2 O Si
• Calculated formula: C23 H21 F3 N2 O Si
• SMILES: N1(n2cccc2)/C(=C(\c2ccc(C(F)(F)F)cc2)[Si](C)(C)C)c2c(C1=O)cccc2
• Title of publication: Nickel-Catalyzed Decarbonylative Alkylidenation of Phthalimides with Trimethylsilyl-Substituted Alkynes
• Authors of publication: Takahiro Shiba; Takuya Kurahashi; Seijiro Matsubara
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 13636 - 13639
• a: 21.833 ± 0.014 Å
• b: 11.77 ± 0.007 Å
• c: 8.45 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2171 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1301
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No