Information card for entry 7133624

Structure parameters

• Formula: C38 H46 Cl4 N8 O6
• Calculated formula: C38 H46 Cl4 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: 16.3524 ± 0.0005 Å
• b: 14.335 ± 0.0004 Å
• c: 18.8597 ± 0.0005 Å
• α: 90°
• β: 113.765 ± 0.002°
• γ: 90°
• Cell volume: 4046.1 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0663
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No