Information card for entry 7133910

Structure parameters

• Formula: C121 H150 O23
• Calculated formula: C121 H150 O22.5
• Title of publication: Charge-transfer host-guest complexes based on pillar[<i>n</i>]arenes and quinonoid compounds for near-infrared photothermal conversion.
• Authors of publication: Wang, Aopu; Zhao, Xueru; Zhang, Hui; Ding, Yanjun; Xue, Min; Shao, Li
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 93
• Pages of publication: 13722 - 13725
• a: 21.429 ± 0.006 Å
• b: 20.658 ± 0.006 Å
• c: 12.85 ± 0.004 Å
• α: 90°
• β: 97.93 ± 0.01°
• γ: 90°
• Cell volume: 5634 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1729
• Residual factor for significantly intense reflections: 0.1198
• Weighted residual factors for significantly intense reflections: 0.2736
• Weighted residual factors for all reflections included in the refinement: 0.3043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No