Information card for entry 7133622

Structure parameters

• Formula: C36 H42 N8 O6
• Calculated formula: C36 H42 N8 O6
• Title of publication: Polar organic cages for efficiently separating azeotropic mixtures.
• Authors of publication: Alimi, Lukman O.; Liu, Xin; Zhang, Gengwu; Moosa, Basem; Khashab, Niveen M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 77
• Pages of publication: 10768 - 10771
• a: 13.685 ± 0.004 Å
• b: 16.419 ± 0.004 Å
• c: 15.856 ± 0.004 Å
• α: 90°
• β: 102.268 ± 0.008°
• γ: 90°
• Cell volume: 3481.4 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No