Information card for entry 7127471

Structure parameters

• Formula: C27 H17 F O2
• Calculated formula: C27 H17 F O2
• SMILES: c1(c(cc(cc1)F)O)C(=O)c1c2ccccc2c2ccccc2c1c1ccccc1
• Title of publication: Palladium catalyzed annulation of 2-iodobiphenyl with a non-terminal alkene enabled by neighboring group assistance.
• Authors of publication: Tang, Bo-Cheng; He, Cai; Chen, Xiang-Long; Ma, Jin-Tian; Wang, Miao; Wu, Yan-Dong; Wu, An-Xin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 1
• Pages of publication: 121 - 124
• a: 9.1584 ± 0.0013 Å
• b: 10.6273 ± 0.0015 Å
• c: 11.0747 ± 0.0016 Å
• α: 95.856 ± 0.002°
• β: 112.392 ± 0.002°
• γ: 103.122 ± 0.002°
• Cell volume: 949.1 ± 0.2 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No