Information card for entry 4517152

Structure parameters

• Formula: C34 H49 Al N6 O
• Calculated formula: C34 H49 Al N6 O
• SMILES: [Al]1(C)(C)[n]2c(cc(C)n2C(C(c2ccc(cc2)N(CC)CC)(c2ccc(cc2)N(CC)CC)O1)n1c(C)cc(C)n1)C
• Title of publication: Synthesis of Bio-Derived Cyclic Carbonates from Renewable Resources
• Authors of publication: de la Cruz-Martínez, Felipe; Martínez de Sarasa Buchaca, Marc; Martínez, Javier; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Rodríguez-Diéguez, Antonio; Castro-Osma, José A.; Lara-Sánchez, Agustín
• Journal of publication: ACS Sustainable Chemistry & Engineering
• Year of publication: 2019
• a: 9.512 ± 0.003 Å
• b: 11.725 ± 0.003 Å
• c: 17.418 ± 0.005 Å
• α: 98.197 ± 0.003°
• β: 104.309 ± 0.003°
• γ: 97.372 ± 0.003°
• Cell volume: 1835.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1662
• Residual factor for significantly intense reflections: 0.1146
• Weighted residual factors for significantly intense reflections: 0.2744
• Weighted residual factors for all reflections included in the refinement: 0.3031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No