Information card for entry 1574889

Structure parameters

• Formula: C136 H120 Cl12 F12 K2 O16 P2
• Calculated formula: C136 H120 Cl12 F12 K2 O16 P2
• Title of publication: Crown ether-cycloparaphenylene hybrid multimacrocycles: insights into supramolecular gas sensing and biological potential.
• Authors of publication: Hu, Yaning; Li, Tong; Su, Taotao; Shi, Wudi; Yu, Yabing; Li, Beibei; Li, Meng-Hua; Zhang, Sheng; Xu, Yuan-Qing; Liu, Qi; Wu, Di; Xu, Youzhi
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 28
• Pages of publication: 13115 - 13121
• a: 22.914 ± 0.016 Å
• b: 23.096 ± 0.014 Å
• c: 25.886 ± 0.018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13699 ± 16 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.2048
• Weighted residual factors for all reflections included in the refinement: 0.2215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No