Information card for entry 7135865

Structure parameters

• Formula: C23 H18 Cl F3 O
• Calculated formula: C23 H18 Cl F3 O
• Title of publication: Visible Light-Induced Carbonylation of Alkenes to Construct α-Branched Aryl Ketone Derivatives
• Authors of publication: Xi, Zi-Wei; Dong, Zhuo-Ying; Ji, Zheng-Kai; Zhang, Kai; Zhao, Fugang; Yuan, Qi-Liang; Shen, Yong-Miao
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 9.5714 ± 0.0006 Å
• b: 9.7703 ± 0.0006 Å
• c: 10.9823 ± 0.0006 Å
• α: 96.121 ± 0.003°
• β: 101.991 ± 0.002°
• γ: 105.078 ± 0.002°
• Cell volume: 955.88 ± 0.1 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1236
• 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