Information card for entry 4519377

Structure parameters

• Formula: C34.5 H41 Cl F6 N3 P Pd S
• Calculated formula: C34.5 H41 Cl F6 N3 P Pd S
• Title of publication: Tunable “In-Chain” and “At the End of the Branches” Methyl Acrylate Incorporation in the Polyolefin Skeleton through Pd(II) Catalysis
• Authors of publication: Alberoni, Chiara; D’Alterio, Massimo C.; Balducci, Gabriele; Immirzi, Barbara; Polentarutti, Maurizio; Pellecchia, Claudio; Milani, Barbara
• Journal of publication: ACS Catalysis
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 3430 - 3443
• a: 12.153 ± 0.0018 Å
• b: 28.037 ± 0.0007 Å
• c: 21.613 ± 0.0007 Å
• α: 90°
• β: 94.356 ± 0.014°
• γ: 90°
• Cell volume: 7343 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0707
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.2017
• Weighted residual factors for all reflections included in the refinement: 0.2058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No