Information card for entry 4127086

Structure parameters

• Formula: C29 H34 N2 O3 Pd
• Calculated formula: C29 H34 N2 O3 Pd
• SMILES: [Pd]12(=C3N(c4c(cccc4C(C)C)C(C)C)C=C4N3c3c(O1)cccc3C=C4)[O]=C(OC)C(C2)(C)C
• Title of publication: Palladium/IzQO-Catalyzed Coordination-Insertion Copolymerization of Ethylene and 1,1-Disubstituted Ethylenes Bearing a Polar Functional Group.
• Authors of publication: Yasuda, Hina; Nakano, Ryo; Ito, Shingo; Nozaki, Kyoko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• a: 13.169 ± 0.006 Å
• b: 13.674 ± 0.006 Å
• c: 14.98 ± 0.006 Å
• α: 90°
• β: 100.599 ± 0.006°
• γ: 90°
• Cell volume: 2651 ± 2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• 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: 0.0623
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No