Information card for entry 7245376

Structure parameters

• Formula: C27 H28 Cl N3 O3
• Calculated formula: C27 H28 Cl N3 O3
• SMILES: c1ccccc1CNC(=O)c1cc(ccc1OCc1cccc(c1)C[n+]1ccn(c1)C)OC.[Cl-]
• Title of publication: Imidazolium-based ionic liquids containing multipoint hydrogen bond donors as bifunctional organocatalysts for efficient cooperative conversion of CO2 to cyclic carbonates
• Authors of publication: Zhang, Aijiang; Chen, Changjuan; Zuo, Chunshan; Xu, Xiaobo; Cai, Tao; Li, Xiaotao; Yuan, Ying; Yang, Huanhuan; Meng, Gege
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 18
• Pages of publication: 7194 - 7207
• a: 8.293 ± 0.006 Å
• b: 8.812 ± 0.006 Å
• c: 19.773 ± 0.014 Å
• α: 88.368 ± 0.01°
• β: 87.164 ± 0.01°
• γ: 67.4 ± 0.01°
• Cell volume: 1332.3 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.1368
• Residual factor for significantly intense reflections: 0.0938
• Weighted residual factors for significantly intense reflections: 0.2353
• Weighted residual factors for all reflections included in the refinement: 0.2639
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No