Information card for entry 4519053

Structure parameters

• Formula: C26 H31 Al Cl3 Cs N2 O8
• Calculated formula: C26 H31 Al Cl3 Cs N2 O8
• 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: 14.9518 ± 0.0002 Å
• b: 12.8871 ± 0.0001 Å
• c: 16.7675 ± 0.0002 Å
• α: 90°
• β: 98.577 ± 0.001°
• γ: 90°
• Cell volume: 3194.72 ± 0.06 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0301
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No