Information card for entry 4120803

Structure parameters

• Formula: C23 H24 N2 O2 Si
• Calculated formula: C23 H24 N2 O2 Si
• SMILES: N1(n2cccc2)/C(=C(/c2ccc(OC)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: 10.906 ± 0.005 Å
• b: 11.199 ± 0.005 Å
• c: 11.312 ± 0.005 Å
• α: 106.617 ± 0.008°
• β: 106.091 ± 0.007°
• γ: 115.013 ± 0.007°
• Cell volume: 1066.2 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0612
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No