Information card for entry 7233413

Structure parameters

• Formula: C42 H38 Cl2 O4 P2 Pd S
• Calculated formula: C42 H38 Cl2 O4 P2 Pd S
• Title of publication: Co-catalysis over a tri-functional ligand modified Pd-catalyst for hydroxycarbonylation of terminal alkynes towards α,β-unsaturated carboxylic acids
• Authors of publication: Yang, Da; Liu, Huan; Liu, Lei; Guo, Wen-Di; Lu, Yong; Liu, Ye
• Journal of publication: Green Chemistry
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 19
• Pages of publication: 5336
• a: 16.7161 ± 0.0002 Å
• b: 13.9805 ± 0.0001 Å
• c: 19.1927 ± 0.0002 Å
• α: 90°
• β: 105.636 ± 0.001°
• γ: 90°
• Cell volume: 4319.34 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0503
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No