Information card for entry 4134912

Structure parameters

• Formula: C32 H28 Cl N3 O2 S
• Calculated formula: C32 H28 Cl N3 O2 S
• Title of publication: Cobalt-Catalyzed Enantioselective Hydroarylation of 1,6-Enynes.
• Authors of publication: Whyte, Andrew; Torelli, Alexa; Mirabi, Bijan; Prieto, Liher; Rodríguez, José F; Lautens, Mark
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 8.983 ± 0.0005 Å
• b: 12.8241 ± 0.0007 Å
• c: 24.4677 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2818.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0578
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No