Information card for entry 7720424

Structure parameters

• Formula: C360 H452 N24 O48
• Calculated formula: C360 H452 N24 O48
• Title of publication: Effective hydrogen isotope separation by a robust flexible calix[4]resorcinarene-based porous organic cage.
• Authors of publication: Guo, Yanan; Feng, Jiajun; Wang, Wenjing; Su, Kongzhao; Yuan, Daqiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 2030 - 2035
• a: 32.181 ± 0.0005 Å
• b: 32.181 ± 0.0005 Å
• c: 37.8481 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 39196.1 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.1461
• Residual factor for significantly intense reflections: 0.0902
• Weighted residual factors for significantly intense reflections: 0.2777
• Weighted residual factors for all reflections included in the refinement: 0.3202
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No