Information card for entry 4135097

Structure parameters

• Formula: C20 H21 N S Si
• Calculated formula: C20 H21 N S Si
• Title of publication: Enantioselective Copper-Catalyzed Alkynylation of Benzylic C-H Bonds via Radical Relay.
• Authors of publication: Fu, Liang; Zhang, Zhihan; Chen, Pinhong; Lin, Zhenyang; Liu, Guosheng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 9.5614 ± 0.0002 Å
• b: 26.9394 ± 0.0005 Å
• c: 7.325 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1886.76 ± 0.06 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 169.97 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No