Information card for entry 1574186

Structure parameters

• Formula: C80 H60 N6 O13
• Calculated formula: C80 H60 N6 O13
• 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: 20.1153 ± 0.0003 Å
• b: 24.4281 ± 0.0003 Å
• c: 15.72562 ± 0.00018 Å
• α: 90°
• β: 89.9918 ± 0.0011°
• γ: 90°
• Cell volume: 7727.23 ± 0.17 ų
• Cell temperature: 220 ± 0.15 K
• Ambient diffraction temperature: 220 ± 0.15 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No