Information card for entry 1577093

Structure parameters

• Formula: C37 H42 O10
• Calculated formula: C37 H42 O10
• Title of publication: Reversible iodine capture by nonporous adaptive hybrid[3]arene crystals
• Authors of publication: Zhang, Ruike; Liu, Wenqian; Zhou, Jiong
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 18.5767 ± 0.0003 Å
• b: 16.6595 ± 0.0003 Å
• c: 22.1764 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6863.12 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No