Information card for entry 4518561

Structure parameters

• Formula: C38 H61 Al N2 O3
• Calculated formula: C38 H61 Al N2 O3
• Title of publication: Chirality-Induced Catalyst Aggregation: Insights into Catalyst Speciation and Activity Using Chiral Aluminum Catalysts in Cyclic Ester Ring-Opening Polymerization
• Authors of publication: Gesslbauer, Sami; Hutchinson, George; White, Andrew J. P.; Burés, Jordi; Romain, Charles
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 4084 - 4093
• a: 10.5311 ± 0.0003 Å
• b: 12.1035 ± 0.0003 Å
• c: 14.8941 ± 0.0004 Å
• α: 90°
• β: 100.65 ± 0.003°
• γ: 90°
• Cell volume: 1865.75 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No