Information card for entry 1572485

Structure parameters

• Formula: C26 H20 Cl F2 N O S
• Calculated formula: C26 H20 Cl F2 N O S
• Title of publication: Cobalt-Catalyzed Conformationally Restricted Alkylarylation Enables Divergent Access to Csp3-Rich N-Heterocycles
• Authors of publication: Chen, Kaixin; Lin, Jie; Jing, Jing; Wang, Junda; Hu, Jiayu; Yi, Hong; Lei, Aiwen; Li, Jie
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 11.743 ± 0.003 Å
• b: 16.564 ± 0.004 Å
• c: 12.926 ± 0.003 Å
• α: 90°
• β: 120.721 ± 0.017°
• γ: 90°
• Cell volume: 2161.4 ± 1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• 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: 0.1409
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.1765
• Weighted residual factors for all reflections included in the refinement: 0.2201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No