Information card for entry 4104492

Structure parameters

• Formula: C21 H23 N O Si
• Calculated formula: C21 H23 N O Si
• SMILES: [Si](c1c(n(c2c(c1=O)cccc2)c1ccccc1)C(=C)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: 10.852 ± 0.002 Å
• b: 9.8548 ± 0.0019 Å
• c: 18.477 ± 0.004 Å
• α: 90°
• β: 104.764 ± 0.003°
• γ: 90°
• Cell volume: 1910.8 ± 0.7 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: 0.0659
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.173
• Weighted residual factors for all reflections included in the refinement: 0.1836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No