Information card for entry 7109792

Structure parameters

• Formula: C32 H47 O2 P3 Pd
• Calculated formula: C32 H47 O2 P3 Pd
• SMILES: C([Pd](OP(=O)(c1ccccc1)c1ccccc1)([P](CC)(CC)CC)[P](CC)(CC)CC)(c1ccccc1)=C
• Title of publication: A Brønsted acid-catalyzed generation of palladium complexes: efficient head-to-tail dimerization of alkynes
• Authors of publication: Chen, Tieqiao; Guo, Cancheng; Goto, Midori; Han, Li-Biao
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 68
• Pages of publication: 7498 - 7500
• a: 18.456 ± 0.003 Å
• b: 14.233 ± 0.002 Å
• c: 12.5508 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3296.9 ± 0.9 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No