Information card for entry 1567007

Structure parameters

• Formula: C156 H144 Cl6 N12 O6
• Calculated formula: C156 H144 Cl6 N12 O6
• Title of publication: Enantioselective Assembly and Recognition of Heterochiral Porous Organic Cages Deduced from Binary Chiral Components
• Authors of publication: Jiang, Jianzhuang; Liu, Chao; Jin, Yucheng; Qi, Dongdong; Ding, Xu; Ren, Huimin; Wang, Hailong
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 13.9655 ± 0.0004 Å
• b: 39.9035 ± 0.001 Å
• c: 15.4673 ± 0.0003 Å
• α: 90°
• β: 100.516 ± 0.002°
• γ: 90°
• Cell volume: 8474.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1196
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.2092
• Weighted residual factors for all reflections included in the refinement: 0.2295
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No