Information card for entry 7161202

Structure parameters

• Formula: C33 H33 F3 O3
• Calculated formula: C33 H33 F3 O3
• Title of publication: Temperature-Directed in situ Generation of Fluorobenzyl Radicals: Utilization for the Complete Fluorobenzylation of Tri-, and Tetramethylbenzenes
• Authors of publication: Bhedi, Dharmveer; Thirumoorthi, Ramalingam
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2026
• a: 9.7403 ± 0.0001 Å
• b: 11.5183 ± 0.0001 Å
• c: 24.497 ± 0.0002 Å
• α: 90°
• β: 100.249 ± 0.001°
• γ: 90°
• Cell volume: 2704.51 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0431
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No