Information card for entry 1556733

Structure parameters

• Formula: C82 H69 B F24 N2 O Pd
• Calculated formula: C82 H69 B F24 N2 O Pd
• SMILES: C1([C]23=[CH]([Pd]412[N](=C1C(=[N]4c2c(C(C)C)cccc2C(C)C)C2c4c(cccc4)C1c1c2cccc1)c1c(C(C)C)cccc1C(C)C)C=C(OC)C=C3)CC.FC(c1cc([B-](c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(c2cc(C(F)(F)F)cc(c2)C(F)(F)F)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc(C(F)(F)F)c1)(F)F
• Title of publication: Fast and Regioselective Polymerization of para-Alkoxystyrene by Palladium Catalysts for Precision Production of High-Molecular-Weight Polystyrene Derivatives
• Authors of publication: Liao, Guangfu; Xiao, Zefan; Chen, Xiaolin; Du, Cheng; Zhong, Liu; Cheung, Chi Shing; Gao, Haiyang
• Journal of publication: Macromolecules
• Year of publication: 2019
• a: 17.8991 ± 0.0011 Å
• b: 17.9848 ± 0.001 Å
• c: 24.2721 ± 0.0017 Å
• α: 90°
• β: 98.602 ± 0.007°
• γ: 90°
• Cell volume: 7725.6 ± 0.9 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.2184
• Residual factor for significantly intense reflections: 0.105
• Weighted residual factors for significantly intense reflections: 0.2658
• Weighted residual factors for all reflections included in the refinement: 0.3468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No