Information card for entry 7250051

Structure parameters

• Formula: C150.98 H158.98 Cl3 N30 O8
• Calculated formula: C150.984 H158.98 Cl3 N30 O8
• Title of publication: Guest-adaptive hydrogen-bonded dimerization of a C3-symmetric tribenzotriquinacene molecular bowl
• Authors of publication: Yang, Tian-Shu; Duan, Xiao-Fang; Yin, Fan; Cai, Li-Xuan; Zhou, Li-Peng; Hu, Shao-Jun; Guo, Xiao-Qing; Sun, Qing-Fu
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 2025 - 2032
• a: 14.7305 ± 0.0005 Å
• b: 15.2894 ± 0.0005 Å
• c: 17.0209 ± 0.0005 Å
• α: 72.734 ± 0.003°
• β: 80.346 ± 0.003°
• γ: 79.345 ± 0.003°
• Cell volume: 3571.5 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1191
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.231
• Weighted residual factors for all reflections included in the refinement: 0.2611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No