Information card for entry 1558587

Structure parameters

• Formula: C46 H62 Al2 O6
• Calculated formula: C46 H62 Al2 O6
• SMILES: C1c2c(c(cc(c2)C)C(C)(C)C)[O]2[Al](Oc3c1cc(cc3C(C)(C)C)C)(O)[O]1c3c(Cc4c(O[Al]21O)c(cc(c4)C)C(C)(C)C)cc(cc3C(C)(C)C)C
• Title of publication: Binuclear aluminum Lewis acid and its behavior in the polymerization of methyl methacrylate and n-butyl acrylate
• Authors of publication: Wang, Zhe; Zhang, Xianhui; Liang, Hongwen; Xian, Mo; Wang, Xiaowu
• Journal of publication: Polymer Chemistry
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 34
• Pages of publication: 5526 - 5533
• a: 16.1738 ± 0.0014 Å
• b: 11.4534 ± 0.0009 Å
• c: 27.691 ± 0.002 Å
• α: 90°
• β: 96.754 ± 0.002°
• γ: 90°
• Cell volume: 5094 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1187
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.2024
• Weighted residual factors for all reflections included in the refinement: 0.2252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No