Information card for entry 7250049

Structure parameters

• Formula: C145 H151 Cl9 N30 O8
• Calculated formula: C145 H151 Cl9 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: 14.8347 ± 0.0008 Å
• b: 15.5615 ± 0.0009 Å
• c: 16.9145 ± 0.0009 Å
• α: 72.925 ± 0.005°
• β: 81.228 ± 0.004°
• γ: 82.651 ± 0.004°
• Cell volume: 3674.6 ± 0.4 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: 0.2876
• Residual factor for significantly intense reflections: 0.1353
• Weighted residual factors for significantly intense reflections: 0.3432
• Weighted residual factors for all reflections included in the refinement: 0.4357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No