Information card for entry 7052782

Structure parameters

• Formula: C19 H15 O2 P
• Calculated formula: C19 H15 O2 P
• SMILES: c1(ccc(cc1)C(=O)O)P(c1ccccc1)c1ccccc1
• Title of publication: Fluoride catalyzed P‒aryl-coupling—a mild approach to functionalized arylphosphines
• Authors of publication: Reis, Andreas; Dehe, Daniel; Farsadpour, Saeid; Munstein, Isabel; Sun, Yu; Thiel, Werner R.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 11
• Pages of publication: 2488
• a: 7.8941 ± 0.0002 Å
• b: 28.695 ± 0.0007 Å
• c: 7.0857 ± 0.0002 Å
• α: 90°
• β: 97.221 ± 0.003°
• γ: 90°
• Cell volume: 1592.33 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No