Information card for entry 4129288

Structure parameters

• Formula: C33 H42 N O9 P Pd S
• Calculated formula: C33 H42 N O9 P Pd S
• SMILES: CC[C@@H]1[C@@H](C[Pd]2([n]3c(C)cccc3C)OS(=O)(=O)c3c(cccc3)[P@]2(C(C)(C)C)c2c(cc(cc2OC)OC)OC)C(=O)OC1=O.CC[C@H]1[C@H](C[Pd]2([n]3c(C)cccc3C)OS(=O)(=O)c3c(cccc3)[P@@]2(C(C)(C)C)c2c(cc(cc2OC)OC)OC)C(=O)OC1=O
• 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: 15.6234 ± 0.0014 Å
• b: 13.435 ± 0.0008 Å
• c: 16.2967 ± 0.0012 Å
• α: 90°
• β: 93.679 ± 0.007°
• γ: 90°
• Cell volume: 3413.6 ± 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: 0.0689
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No