Information card for entry 1564711

Structure parameters

• Formula: C256 H252 N32 O48
• Calculated formula: C256 H264 N32 O48
• SMILES: c12c(c3cc(c1O)[C@@H](c1cc4c(O)c(c1O)/C=N/NC(=O)c1cccc(c1)C(=O)N/N=C/c1c(c5[C@@H](c6c(O)c(/C=N/NC(=O)c7cc(C(=O)N/N=C/2)ccc7)c(c(c6)[C@@H](c2cc6c(c(c2O)/C=N/NC(=O)c2cc(C(=O)N/N=C/c7c(O)c8[C@H](CC(C)C)c9c(c%10c(c(c9)[C@@H](c9cc([C@@H](c%11c(c(c(c([C@@H](c(c7O)c8)CC(C)C)c%11)O)/C=N/NC(=O)c7cc(ccc7)C(=O)N/N=C/c7c(O)c([C@@H](c(c1O)c5)CC(C)C)cc(c7O)[C@H]6CC(C)C)O)CC(C)C)c(O)c(c9O)/C=N/NC(=O)c1cccc(c1)C(=O)N/N=C/c1c(c5[C@@H](c6c(O)c(/C=N/NC(=O)c7cc(C(=O)N/N=C/%10)ccc7)c(c(c6)[C@@H](c6cc7c(c(c6O)/C=N/NC(=O)c6cccc(C(=O)N/N=C/c8c(O)c([C@@H]3CC(C)C)cc(c8O)[C@H](c3c(c(c(c(c3)[C@H]4CC(C)C)O)/C=N/NC(=O)c3cc(ccc3)C(=O)N/N=C/c3c(O)c([C@@H](c(c1O)c5)CC(C)C)cc(c3O)[C@H]7CC(C)C)O)CC(C)C)c6)O)CC(C)C)O)CC(C)C)O)CC(C)C)O)O)ccc2)O)CC(C)C)O)CC(C)C)O)CC(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: 56.553 ± 0.002 Å
• b: 15.3485 ± 0.0007 Å
• c: 60.22 ± 0.003 Å
• α: 90°
• β: 115.851 ± 0.006°
• γ: 90°
• Cell volume: 47040 ± 4 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: 0.2017
• Residual factor for significantly intense reflections: 0.1279
• Weighted residual factors for significantly intense reflections: 0.3742
• Weighted residual factors for all reflections included in the refinement: 0.4259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No