Information card for entry 7161211

Structure parameters

• Formula: C29 H25 F O
• Calculated formula: C29 H25 F O
• Title of publication: Cu-catalyzed oxidative coupling of alkylarenes with tertiary C(sp3)–H bonds via C–H activation
• Authors of publication: Hong, Gang; Nahide, Pradip D.; Patel, Wahiduddin G.; Kozlowski, Marisa C.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2026
• a: 8.9195 ± 0.0005 Å
• b: 13.0385 ± 0.0007 Å
• c: 9.2973 ± 0.0005 Å
• α: 90°
• β: 97.357 ± 0.002°
• γ: 90°
• Cell volume: 1072.35 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No