Information card for entry 4104490

Structure parameters

• Formula: C19 H21 N O Si
• Calculated formula: C19 H21 N O Si
• SMILES: [Si](c1c(n(c2c(c1=O)cccc2)c1ccccc1)C)(C)(C)C
• Title of publication: Nickel-Catalyzed Decarboxylative Carboamination of Alkynes with Isatoic Anhydrides
• Authors of publication: Yasufumi Yoshino; Takuya Kurahashi; Seijiro Matsubara
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 7494 - 7495
• a: 14.3502 ± 0.0015 Å
• b: 10.924 ± 0.0012 Å
• c: 11.3158 ± 0.0012 Å
• α: 90°
• β: 102.966 ± 0.002°
• γ: 90°
• Cell volume: 1728.7 ± 0.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.0546
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No