Information card for entry 4129287

Structure parameters

• Formula: C29 H38 N O8 P Pd S
• Calculated formula: C29 H38 N O8 P Pd S
• SMILES: CC[C@H](C(=O)OC)[Pd]1([n]2ccccc2)OS(=O)(=O)c2c(cccc2)[P@@]1(c1c(cc(cc1OC)OC)OC)C(C)(C)C.CC[C@@H](C(=O)OC)[Pd]1([n]2ccccc2)OS(=O)(=O)c2c(cccc2)[P@]1(c1c(cc(cc1OC)OC)OC)C(C)(C)C
• Title of publication: Suppression of chain transfer in catalytic acrylate polymerization via rapid and selective secondary insertion.
• Authors of publication: Jian, Zhongbao; Baier, Moritz C.; Mecking, Stefan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 8
• Pages of publication: 2836 - 2839
• a: 12.5462 ± 0.001 Å
• b: 13.8742 ± 0.0012 Å
• c: 17.3057 ± 0.0012 Å
• α: 90°
• β: 92.979 ± 0.006°
• γ: 90°
• Cell volume: 3008.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0642
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No