Information card for entry 4035343

Structure parameters

• Formula: C26 H23 O2 P
• Calculated formula: C26 H23 O2 P
• SMILES: P(c1c(c2c(cccc2OC)OC)cccc1)(c1ccccc1)c1ccccc1
• Title of publication: Palladium-Catalyzed Direct Arylation of Polyfluoroarenes for Accessing Tetra- ortho-Substituted Biaryls: Buchwald-type Ligand Having Complementary -PPh₂ Moiety Exhibits Better Efficiency.
• Authors of publication: Yuen, On Ying; Leung, Man Pan; So, Chau Ming; Sun, Raymond Wai-Yin; Kwong, Fuk Yee
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 16
• Pages of publication: 9008 - 9017
• a: 8.4766 ± 0.0004 Å
• b: 18.0301 ± 0.0008 Å
• c: 14.2702 ± 0.0006 Å
• α: 90°
• β: 103.578 ± 0.0013°
• γ: 90°
• Cell volume: 2120.02 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.039
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No