Information card for entry 7135913

Structure parameters

• Formula: C245 H257 B8 F32.03 N23 O14.94 P8 Pd4
• Calculated formula: C209 H173 B5 F20.03 N11 O2.94 P8 Pd4
• 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: 22.1764 ± 0.001 Å
• b: 23.4544 ± 0.0011 Å
• c: 25.8084 ± 0.0013 Å
• α: 84.514 ± 0.002°
• β: 76.721 ± 0.002°
• γ: 85.997 ± 0.002°
• Cell volume: 12989.2 ± 1.1 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: 0.0829
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.2015
• Weighted residual factors for all reflections included in the refinement: 0.2143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No