Information card for entry 1567591

Structure parameters

• Formula: C22 H19 O P
• Calculated formula: C22 H19 O P
• Title of publication: Palladium-catalysed C–H arylation of benzophospholes with aryl halides
• Authors of publication: Xu, Shibo; Nishimura, Kazutoshi; Saito, Kosuke; Hirano, Koji; Miura, Masahiro
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 12.5743 ± 0.0003 Å
• b: 11.368 ± 0.0002 Å
• c: 11.7601 ± 0.0002 Å
• α: 90°
• β: 93.369 ± 0.002°
• γ: 90°
• Cell volume: 1678.14 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0435
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No