Information card for entry 4517164

Structure parameters

• Formula: C25 H29 N S
• Calculated formula: C25 H29 N S
• Title of publication: Diastereo- and Enantioselective CuH-Catalyzed Hydroamination of Strained Trisubstituted Alkenes
• Authors of publication: Feng, Sheng; Hao, Hua; Liu, Peng; Buchwald, Stephen L.
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Pages of publication: 282
• a: 13.0414 ± 0.0011 Å
• b: 5.7208 ± 0.0004 Å
• c: 14.1145 ± 0.0012 Å
• α: 90°
• β: 93.997 ± 0.004°
• γ: 90°
• Cell volume: 1050.48 ± 0.15 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No