Information card for entry 1569363

Structure parameters

• Formula: C48 H75 Al N2 O2
• Calculated formula: C48 H75 Al N2 O2
• Title of publication: Insights into the interaction between bis(aryloxide)alkylaluminum and N-heterocyclic carbene: from an abnormal Lewis adduct to a frustrated Lewis pair for efficient polymerizations of biomass-derived acrylic monomers
• Authors of publication: Wang, Xing; Zhang, Yanping; Hong, Miao
• Journal of publication: Polymer Chemistry
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 28
• Pages of publication: 3286 - 3293
• a: 12.4095 ± 0.0003 Å
• b: 20.9214 ± 0.0004 Å
• c: 18.3058 ± 0.0004 Å
• α: 90°
• β: 101.641 ± 0.001°
• γ: 90°
• Cell volume: 4654.87 ± 0.18 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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: 0.0654
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No