Information card for entry 7135912

Structure parameters

• Formula: C118 H101 F18 N11 O10 P7 Pd2
• Calculated formula: C114 H94 F6 N11 O9 P5 Pd2
• Title of publication: Squaramide-functionalized coordination capsule as hydrogen-bond-donor catalyst for efficient Friedel-Crafts alkylation.
• Authors of publication: Zhao, Song; Wei, Zhong; Wang, Yao; Geng, Guowei; Jing, Xu; Duan, Chunying
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 38
• Pages of publication: 9716 - 9719
• a: 14.9048 ± 0.0019 Å
• b: 21.474 ± 0.003 Å
• c: 26.501 ± 0.003 Å
• α: 110.495 ± 0.005°
• β: 100.234 ± 0.006°
• γ: 97.695 ± 0.007°
• Cell volume: 7639.8 ± 1.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.183
• Residual factor for significantly intense reflections: 0.1371
• Weighted residual factors for significantly intense reflections: 0.3073
• Weighted residual factors for all reflections included in the refinement: 0.3421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No