Information card for entry 7159681

Structure parameters

• Formula: C17 H15 F2 N O
• Calculated formula: C17 H15 F2 N O
• SMILES: Fc1c2c([C@@H](c3ccc(OC)cc3)C)c[nH]c2ccc1F
• Title of publication: Transition-metal-free and additive-free intermolecular hydroarylation of alkenes with indoles in hexafluoroisopropanol.
• Authors of publication: Zhou, Changsheng; Huang, Ming; Yao, Yufeng; Chen, Chunyu; Yi, Xin; Yang, Ke-Fang; Lai, Guo-Qiao; Xuan, Wenjing; Zhang, Pinglu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 48
• Pages of publication: 9534 - 9541
• a: 7.426 ± 0.0014 Å
• b: 10.475 ± 0.002 Å
• c: 18.684 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1453.4 ± 0.5 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.147
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0461
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No