Information card for entry 4517769

Structure parameters

• Formula: C25 H37 Br N2 O3
• Calculated formula: C25 H37 Br N2 O3
• Title of publication: Conversion of Quinine Derivatives into Biologically Active Ionic Liquids: Advantages, Multifunctionality, and Perspectives
• Authors of publication: Pernak, Juliusz; Rzemieniecki, Tomasz; Klejdysz, Tomasz; Qu, Fengrui; Rogers, Robin D.
• Journal of publication: ACS Sustainable Chemistry & Engineering
• Year of publication: 2020
• Journal volume: 8
• Journal issue: 25
• Pages of publication: 9263 - 9267
• a: 8.25467 ± 0.00002 Å
• b: 13.60583 ± 0.00004 Å
• c: 22.29025 ± 0.00007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2503.45 ± 0.012 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0166
• Residual factor for significantly intense reflections: 0.0166
• Weighted residual factors for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No