Information card for entry 4086891

Structure parameters

• Formula: C31 H37 F3 N2 O Si
• Calculated formula: C31 H37 F3 N2 O Si
• Title of publication: Nickel-Catalyzed Oxidative Coupling of Unactivated C(sp3)‒H Bonds in Aliphatic Amides with Terminal Alkynes
• Authors of publication: Luo, Fei-Xian; Cao, Zhi-Chao; Zhao, Hong-Wei; Wang, Ding; Zhang, Yun-Fei; Xu, Xing; Shi, Zhang-Jie
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 1
• Pages of publication: 18
• a: 8.4313 ± 0.0006 Å
• b: 12.8023 ± 0.0008 Å
• c: 15.1161 ± 0.0009 Å
• α: 113.8 ± 0.006°
• β: 90.996 ± 0.005°
• γ: 101.075 ± 0.006°
• Cell volume: 1456.87 ± 0.18 ų
• Cell temperature: 180.01 ± 0.1 K
• Ambient diffraction temperature: 180.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1341
• 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: Yes
• Has Fobs: No