Information card for entry 7135151

Structure parameters

• Formula: C59 H56 Cl6 N8 O3
• Calculated formula: C58.9995 H55.9995 Cl5.9985 N8 O3
• Title of publication: Molecular Engineering of Porous Organic Cages for Iodine Capture and Fluorescence Detection
• Authors of publication: Liu, Shuangbin; Xiang, Yuanke; Chen, Xinqi; Gao, Haofeng; Yang, Xiaoran; Li, Jinmei; Fan, Jianxian; Liu, Ziyuan; He, Tianwei; Qiu, Li
• Journal of publication: Chemical Communications
• Year of publication: 2025
• a: 15.1639 ± 0.0016 Å
• b: 18.904 ± 0.002 Å
• c: 20.266 ± 0.002 Å
• α: 89.732 ± 0.004°
• β: 74.207 ± 0.004°
• γ: 89.827 ± 0.004°
• Cell volume: 5590 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1112
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.191
• Weighted residual factors for all reflections included in the refinement: 0.2198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No