Information card for entry 4120800

Structure parameters

• Formula: C22 H22 N2 O Si
• Calculated formula: C22 H22 N2 O Si
• SMILES: N1(n2cccc2)C(=C(\c2ccccc2)[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: 18.05 ± 0.003 Å
• b: 10.4739 ± 0.0017 Å
• c: 20.8 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3932.3 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No