Information card for entry 7134492

Structure parameters

• Formula: C11 H13 O3 P
• Calculated formula: C11 H13 O3 P
• Title of publication: Development of highly efficient and selective palladium catalysts for telomerization of 1,3-butadiene with alcohols
• Authors of publication: Souza, Edson Leonardo Scarpa de; Ahrens, Sebastian; Spannenberg, Anke; Neumann, Helfried; Junge, Kathrin; Correia, Carlos Roque Duarte; Jackstell, Ralf; Beller, Matthias
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 50
• Pages of publication: 9083 - 9086
• a: 10.5361 ± 0.0004 Å
• b: 8.4344 ± 0.0003 Å
• c: 12.6771 ± 0.0005 Å
• α: 90°
• β: 98.8044 ± 0.0013°
• γ: 90°
• Cell volume: 1113.28 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No