Information card for entry 4084083

Structure parameters

• Formula: C26 H35 Al Cl2 O3
• Calculated formula: C26 H35 Al Cl2 O3
• SMILES: [Al]1(Oc2c(cc(Cl)c(c2Cc2c(c(Cl)cc(c2O1)C(C)C)C)C)C(C)C)([O]1CCCC1)C
• Title of publication: Reactions of 2,2‘-Methylenebis(4-chloro-6-isopropyl-3-methylphenol) with Trimethylaluminum: Highly Efficient Catalysts for the Ring-Opening Polymerization of Lactones
• Authors of publication: Chen, Huei-Ling; Ko, Bao-Tsan; Huang, Bor-Hunn; Lin, Chu-Chieh
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 24
• Pages of publication: 5076
• a: 11.7481 ± 0.0019 Å
• b: 19.09 ± 0.003 Å
• c: 12.86 ± 0.002 Å
• α: 90°
• β: 110.201 ± 0.003°
• γ: 90°
• Cell volume: 2706.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1203
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1639
• Weighted residual factors for all reflections included in the refinement: 0.1957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No