Information card for entry 4035053

Structure parameters

• Formula: C6 H13 N O Si
• Calculated formula: C6 H13 N O Si
• Title of publication: Palladium-Catalyzed Regioselective Hydroaminocarbonylation of Alkynes to α,β-Unsaturated Primary Amides with Ammonium Chloride.
• Authors of publication: Ji, Xiaolei; Gao, Bao; Zhou, Xibing; Liu, Zongjian; Huang, Hanmin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 17
• Pages of publication: 10134 - 10141
• a: 17.1351 ± 0.0019 Å
• b: 18.035 ± 0.0011 Å
• c: 15.9634 ± 0.0015 Å
• α: 90°
• β: 104.132 ± 0.011°
• γ: 90°
• Cell volume: 4783.9 ± 0.8 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 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: 0.166
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.215
• Weighted residual factors for all reflections included in the refinement: 0.2797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No