Information card for entry 1569364

Structure parameters

• Formula: C43 H71 Al N2 O2
• Calculated formula: C43 H71 Al N2 O2
• SMILES: [Al](Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)(Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)(c1n(c[n+](c1)C(C)(C)C)C(C)(C)C)CC
• 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: 9.7774 ± 0.0007 Å
• b: 17.9495 ± 0.0015 Å
• c: 24.4311 ± 0.0018 Å
• α: 90°
• β: 95.074 ± 0.002°
• γ: 90°
• Cell volume: 4270.8 ± 0.6 ų
• Cell temperature: 192 ± 2 K
• Ambient diffraction temperature: 192 ± 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: 0.0722
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No