Information card for entry 1576238

Structure parameters

• Formula: C155 H190 Cl24 N20 O3
• Calculated formula: C155 H190 Cl24 N20 O3
• Title of publication: A self-assembled macrocycle with a non-closed structure for hierarchically upgraded self-assembly
• Authors of publication: Cao, Ze; Ge, Chenqi; Wu, Guangcheng; Tang, Hua; Wu, Yating; Kuang, Yueyan; Lu, Yuyang; Liu, Jiyong; Li, Hao
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 21.0151 ± 0.0011 Å
• b: 28.0832 ± 0.0015 Å
• c: 28.4875 ± 0.0015 Å
• α: 90°
• β: 96.835 ± 0.002°
• γ: 90°
• Cell volume: 16693 ± 1.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2148
• Residual factor for significantly intense reflections: 0.106
• Weighted residual factors for significantly intense reflections: 0.2687
• Weighted residual factors for all reflections included in the refinement: 0.3458
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No