Information card for entry 7134802

Structure parameters

• Formula: C23 H17 F
• Calculated formula: C23 H17 F
• Title of publication: Palladium-catalyzed sequential [3+2] cyclization/C–H activation of o-iodostyrenes with cyclopropenones as C2 synthons
• Authors of publication: Sun, Jie; Zhang, Shaojie; Wang, Ruixue; Lv, Zeng; Wu, Xin-Xing
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 45
• Pages of publication: 8200 - 8203
• a: 11.689 ± 0.002 Å
• b: 17.293 ± 0.003 Å
• c: 8.4188 ± 0.0014 Å
• α: 90°
• β: 102.698 ± 0.002°
• γ: 90°
• Cell volume: 1660.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.0729
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.273
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No