Information card for entry 1574596

Structure parameters

• Formula: C155 H183 Cl3 Cs2 F12 N30 O15 S4
• Calculated formula: C136 H140 Cs2 F12 N30 O12 S4
• Title of publication: A conformationally adaptable tetrahedral cage with different guest encapsulation models
• Authors of publication: Tang, Hua; Lu, Yuyang; Qian, Yongwei; Ge, Chenqi; Liu, Jiyong; Chen, Hongliang; Li, Hao
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 24
• Pages of publication: 10867 - 10873
• a: 15.9658 ± 0.001 Å
• b: 16.1176 ± 0.001 Å
• c: 33.451 ± 0.002 Å
• α: 81.578 ± 0.002°
• β: 82.615 ± 0.002°
• γ: 84.009 ± 0.002°
• Cell volume: 8412.3 ± 0.9 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.2117
• Weighted residual factors for all reflections included in the refinement: 0.2207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No