Information card for entry 4514435

Structure parameters

• Formula: C24 H19 F O2 S
• Calculated formula: C24 H19 F O2 S
• SMILES: FS(=O)(=O)C[C@H](/C=C/c1ccccc1)c1cc2ccccc2c2c1cccc2
• Title of publication: Rh(I)–Diene-Catalyzed Addition of (Hetero)aryl Functionality to 1,3-Dienylsulfonyl Fluorides Achieving Exclusive Regioselectivity and High Enantioselectivity: Generality and Mechanism
• Authors of publication: Moku, Balakrishna; Fang, Wan-Yin; Leng, Jing; Kantchev, Eric Assen B.; Qin, Hua-Li
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Pages of publication: 10477
• a: 5.101 ± 0.0005 Å
• b: 15.6195 ± 0.0014 Å
• c: 23.695 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1887.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.1417
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.211
• Weighted residual factors for all reflections included in the refinement: 0.2387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No