Information card for entry 4518562

Structure parameters

• Formula: C87 H124 Al2 N4 O6
• Calculated formula: C87 H124 Al2 N4 O6
• 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: 14.2817 ± 0.0003 Å
• b: 19.6139 ± 0.0002 Å
• c: 16.3139 ± 0.0003 Å
• α: 90°
• β: 112.131 ± 0.002°
• γ: 90°
• Cell volume: 4233.16 ± 0.14 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: 0.0631
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No