Information card for entry 7250816

Structure parameters

• Formula: C16 H14 F N O2
• Calculated formula: C16 H14 F N O2
• Title of publication: Tetrabutylammonium decatungstate-catalyzed hydroalkylation/alkoxylation of 3-methyleneisoindolin-1-ones with alcohols/ethers through hydrogen atom transfer process
• Authors of publication: Fu, Han; Wang, Feixia; Wu, Ziyan; Xie, Xiaoyu; Zhang, Yicheng; Liu, Jie; Wang, Lei
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 37
• Pages of publication: 30285 - 30289
• a: 7.3027 ± 0.0015 Å
• b: 10.689 ± 0.002 Å
• c: 17.559 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1370.6 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No