Information card for entry 1564712

Structure parameters

• Formula: C144 H144 N24 O32
• Calculated formula: C144 H206 N24 O32
• SMILES: c12c(c3cc(c1O)C(c1c(c4c(c(c1)[C@H](c1c(c5c(c(c1)C(c1cc(c(c(c1O)/C=N/NC(=O)CCCCC(=O)N/N=C/c1c(c6cc(c1O)C(c1c(c(c(c(c1)[C@H](c1c(c(c(c(c1)C(c1cc(c(c(c1O)/C=N/NC(=O)CCCCC(=O)N/N=C/2)O)[C@H]6CC(C)C)CC(C)C)O)/C=N/NC(=O)CCCCC(=O)N/N=C/4)O)CC(C)C)O)/C=N/NC(=O)CCCCC(=O)N/N=C/5)O)CC(C)C)O)O)[C@H]3CC(C)C)CC(C)C)O)O)CC(C)C)O)O)CC(C)C)O.N(C)(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.N(C)(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O
• Title of publication: Water-Stable Hydrazone-Linked Porous Organic Cages
• Authors of publication: Yang, Miao; Qiu, Fenglei; M. El-Sayed, El-Sayed; Wang, Wenjing; du, shunfu; Su, Kongzhao; Yuan, Daqiang
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 31.8298 ± 0.0003 Å
• b: 15.7439 ± 0.0001 Å
• c: 39.9094 ± 0.0003 Å
• α: 90°
• β: 95.239 ± 0.001°
• γ: 90°
• Cell volume: 19916.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0858
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.2215
• Weighted residual factors for all reflections included in the refinement: 0.2399
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No