Information card for entry 1576245

Structure parameters

• Formula: C56 H56 Cl6 N8 O3
• Calculated formula: C56 H56 Cl6 N8 O3
• Title of publication: A nonporous crystalline organic cage for selective water uptake and storage
• Authors of publication: Alimi, Lukman O.; Khalfay, Nida; Khlifi, Soumaya; Lin, Weibin; Moosa, Basem; Khashab, Niveen M.
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 10.9208 ± 0.0009 Å
• b: 13.5651 ± 0.001 Å
• c: 19.7896 ± 0.0015 Å
• α: 107.002 ± 0.002°
• β: 94.441 ± 0.003°
• γ: 102.646 ± 0.003°
• Cell volume: 2703.9 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No