Information card for entry 4519054

Structure parameters

• Formula: C74 H76 Al2 K2 N4 O17
• Calculated formula: C74 H76 Al2 K2 N4 O17
• Title of publication: Catalytic Synergy Using Al(III) and Group 1 Metals to Accelerate Epoxide and Anhydride Ring-Opening Copolymerizations
• Authors of publication: Diment, Wilfred T.; Gregory, Georgina L.; Kerr, Ryan W. F.; Phanopoulos, Andreas; Buchard, Antoine; Williams, Charlotte K.
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Pages of publication: 12532 - 12542
• a: 15.0779 ± 0.0002 Å
• b: 30.1479 ± 0.0004 Å
• c: 17.5249 ± 0.0003 Å
• α: 90°
• β: 114.699 ± 0.002°
• γ: 90°
• Cell volume: 7237.5 ± 0.2 ų
• Cell temperature: 150 ± 0.13 K
• Ambient diffraction temperature: 150 ± 0.13 K
• Number of distinct elements: 6
• 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: 0.0561
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No