Information card for entry 7123203

Structure parameters

• Formula: C19 H20 Cl F2 O3 P S
• Calculated formula: C19 H20 Cl F2 O3 P S
• Title of publication: BiCl3-Mediated Direct Functionalization of Unsaturated C–C Bonds with an Electrophilic SCF2PO(OEt)2 Reagent
• Authors of publication: Wang, Jianjun; Xiong, Heng-Ying; Petit, Emilie; Bailly, Laetitia; Pannecoucke, Xavier; Poisson, Thomas; Besset , Tatiana
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 10.099 ± 0.002 Å
• b: 10.253 ± 0.002 Å
• c: 11.362 ± 0.002 Å
• α: 77.012 ± 0.004°
• β: 67.262 ± 0.004°
• γ: 83.234 ± 0.004°
• Cell volume: 1056.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1072
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1754
• Weighted residual factors for all reflections included in the refinement: 0.207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No