Information card for entry 1574550

Structure parameters

• Formula: C12 H11 F O2
• Calculated formula: C12 H11 F O2
• Title of publication: Synthesis of bicyclo[3.2.0]heptane lactones via a ligand-enabled Pd-catalyzed C(sp3)–H activation cascade
• Authors of publication: Fan, Zhoulong; Cai, Xinpei; Sheng, Tao; Yu, Jin-Quan
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 21
• Pages of publication: 9436 - 9440
• a: 8.1406 ± 0.0005 Å
• b: 5.8085 ± 0.0003 Å
• c: 19.8674 ± 0.0011 Å
• α: 90°
• β: 92.646 ± 0.002°
• γ: 90°
• Cell volume: 938.42 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0419
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No