Information card for entry 7063282

Structure parameters

• Formula: C19 H23 Br N2 O
• Calculated formula: C19 H23 Br N2 O
• Title of publication: A novel pyrazolium ionic liquid used for CO2 cycloaddition
• Authors of publication: Li, Jun-Fei; Guan, Xiao-Hui; Feng, Hui-Jun; Zhou, Dai-Mei; Liu, Qiao-Yun; Zhang, Wen-Yao; Guo, Cai-Hong; Bai, Jun-Hua; Wang, Jun-Wen
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 28
• Pages of publication: 12706 - 12712
• a: 14.9502 ± 0.0013 Å
• b: 10.2847 ± 0.0009 Å
• c: 24.072 ± 0.002 Å
• α: 90°
• β: 99.492 ± 0.004°
• γ: 90°
• Cell volume: 3650.6 ± 0.5 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• 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: 0.0563
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No