Information card for entry 1564708

Structure parameters

• Formula: C216 H235 N32 O44
• Calculated formula: C216 H235 N32 O44
• SMILES: CC(C)C[C@@H]1c2cc3c(O)c(c2O)C=NNC(=O)c2cccc(c2)C(=O)NN=Cc2c(O)c4cc(c2O)[C@@H](CC(C)C)c2c(O)c5c(O)c(c2)[C@@H](CC(C)C)c2c(O)c6C=NNC(=O)c7cccc(C(=O)NN=Cc8c(c9cc([C@@H](CC(C)C)c%10c(c(C=NNC(=O)c%11cccc(C(=O)NN=C5)c%11)c(O)c(c%10)[C@H](c5c(c%10c(c(c5)[C@H](c5c(c(C=NNC(=O)c%11cc(C(=O)NN=Cc%12c(c([C@H](c%13c(c(C=NNC(=O)c%14cc(C(=O)NN=C%10)ccc%14)c(c(c%13)[C@H]3CC(C)C)O)O)CC(C)C)cc([C@@H](c3c(c(C=NNC(=O)c%10cccc(C(=O)NN=Cc%13c(O)c([C@@H](c(c6O)c2)CC(C)C)cc(c%13O)[C@H]4CC(C)C)c%10)c(c1c3)O)O)CC(C)C)c%12O)O)ccc%11)c(c(c5)[C@H]9CC(C)C)O)O)CC(C)C)O)O)CC(C)C)O)c8O)O)c7.N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C.O=CN(C)C.N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C
• 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: 33.0202 ± 0.001 Å
• b: 65.6703 ± 0.0015 Å
• c: 31.087 ± 0.0007 Å
• α: 90°
• β: 106.056 ± 0.003°
• γ: 90°
• Cell volume: 64781 ± 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: 0.15
• Residual factor for significantly intense reflections: 0.1045
• Weighted residual factors for significantly intense reflections: 0.3288
• Weighted residual factors for all reflections included in the refinement: 0.3764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.255
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No