Information card for entry 1567973

Structure parameters

• Formula: C22 H17 Cl2 F O4
• Calculated formula: C22 H17 Cl2 F O4
• Title of publication: Multiple remote C(sp3)–H functionalizations of aliphatic ketones via bimetallic Cu–Pd catalyzed successive dehydrogenation
• Authors of publication: Li, Hongyi; Yin, Chang; Liu, Sien; Tu, Hua; Lin, Ping; Chen, Jing; Su, Weiping
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 16.218 ± 0.002 Å
• b: 10.98 ± 0.0015 Å
• c: 11.7185 ± 0.0016 Å
• α: 90°
• β: 107.344 ± 0.007°
• γ: 90°
• Cell volume: 1991.9 ± 0.5 ų
• Cell temperature: 260 ± 2 K
• Ambient diffraction temperature: 259.98 K
• Number of distinct elements: 5
• 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: 0.1472
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No