Information card for entry 4120798

Structure parameters

• Formula: C20 H28 N2 O Si2
• Calculated formula: C20 H28 N2 O Si2
• SMILES: N1(n2cccc2)/C(=C(C[Si](C)(C)C)/[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: 9.6834 ± 0.0017 Å
• b: 16.116 ± 0.003 Å
• c: 14.179 ± 0.002 Å
• α: 90°
• β: 91.826 ± 0.003°
• γ: 90°
• Cell volume: 2211.6 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0635
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No