Information card for entry 7133621

Structure parameters

• Formula: C43 H50 N8 O6
• Calculated formula: C43 H50 N8 O6
• Title of publication: Polar Organic Cages for Efficient Azeotropic Mixtures Separation
• Authors of publication: Alimi, Lukman; Khashab, Niveen M.; Liu, Xin; Zhang, Gengwu; moosa, basem
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 13.658 ± 0.003 Å
• b: 9.8012 ± 0.0018 Å
• c: 30.782 ± 0.005 Å
• α: 90°
• β: 99.251 ± 0.012°
• γ: 90°
• Cell volume: 4067 ± 1.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• 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: 0.1237
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1873
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No