Information card for entry 1574189

Structure parameters

• Formula: C55 H38 Cl4 N4 O8
• Calculated formula: C55 H38 Cl4 N4 O8
• Title of publication: Single-crystal chiral two-dimensional supramolecular organic frameworks for tunable circularly polarized luminescence
• Authors of publication: Cui, Jialin; Wang, Hui; Liu, Hui; Yu, Hailong; Wang, Wei; Wang, Yu; Zhao, Yingjie
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 17
• Pages of publication: 7513 - 7522
• a: 24.712 ± 0.0005 Å
• b: 24.712 ± 0.0005 Å
• c: 25.1045 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13276.9 ± 0.5 ų
• Cell temperature: 99.98 ± 0.1 K
• Ambient diffraction temperature: 99.98 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2 :H
• Hall space group symbol: R 3 2"
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.2226
• Weighted residual factors for all reflections included in the refinement: 0.2266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No