Information card for entry 4308661

Structure parameters

• Formula: C24 H30 N4 O6
• Calculated formula: C24 H30 N4 O6
• SMILES: C(=N\CC/N=C/c1c(c(cc(c1)N(=O)=O)C(C)(C)C)O)/c1c(O)c(cc(c1)N(=O)=O)C(C)(C)C
• Title of publication: Aluminum Salen Complexes and Tetrabutylammonium Salts: A Binary Catalytic System for Production of Polycarbonates from CO2 and Cyclohexene Oxide
• Authors of publication: Donald J. Darensbourg; Damon R. Billodeaux
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 1433 - 1442
• a: 24.557 ± 0.004 Å
• b: 24.557 ± 0.004 Å
• c: 10.193 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5323.3 ± 1.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.2232
• Residual factor for significantly intense reflections: 0.1012
• Weighted residual factors for significantly intense reflections: 0.2186
• Weighted residual factors for all reflections included in the refinement: 0.267
• Goodness-of-fit parameter for all reflections included in the refinement: 0.772
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No