Information card for entry 1547787

Structure parameters

• Formula: C23 H19 F3 O
• Calculated formula: C23 H19 F3 O
• SMILES: FC(F)(F)c1ccc(/C=C/[C@H]([C@@H](O)c2ccccc2)c2ccccc2)cc1.FC(F)(F)c1ccc(/C=C/[C@@H]([C@H](O)c2ccccc2)c2ccccc2)cc1
• Title of publication: Controllable Stereoselective Synthesis of (Z)- and (E)-Homoallylic Alcohols Using a Palladium-Catalyzed Three-Component Reaction.
• Authors of publication: Horino, Yoshikazu; Sugata, Miki; Mutsuura, Itaru; Tomohara, Keisuke; Abe, Hitoshi
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 21
• Pages of publication: 5968 - 5971
• a: 13.2977 ± 0.0002 Å
• b: 5.57216 ± 0.0001 Å
• c: 25.8974 ± 0.0005 Å
• α: 90°
• β: 103.075 ± 0.0007°
• γ: 90°
• Cell volume: 1869.17 ± 0.06 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No