Information card for entry 1577334

Structure parameters

• Formula: C97 H89.5 N8.5 O8
• Calculated formula: C84 H70 N2 O8
• Title of publication: A Crystalline Supramolecular Polymer Constructed by the Controlled Self-Assembly of Clamparene and Its Application in Photothermal Conversion
• Authors of publication: Qu, Wen-Juan; Shi, Wenjing; Wang, Ke; Hu, Wentao; Sun, Hui; Lin, Qi; Wei, Tai-Bao; Shi, Bingbing
• Journal of publication: Polymer Chemistry
• Year of publication: 2026
• a: 13.7704 ± 0.0003 Å
• b: 14.3626 ± 0.0003 Å
• c: 23.1211 ± 0.0004 Å
• α: 100.012 ± 0.002°
• β: 99.963 ± 0.002°
• γ: 110.512 ± 0.002°
• Cell volume: 4079.8 ± 0.17 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.2637
• Weighted residual factors for all reflections included in the refinement: 0.2831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No