Information card for entry 1564710

Structure parameters

• Formula: C152 H228 N28 O36
• Calculated formula: C152 H228 N28 O38
• SMILES: c1(c2c(c3cc1[C@H](c1c(c4c(c(c1)[C@H](c1c(c5c(c(c1)[C@H](c1cc(c(c(c1O)/C=N/NC(=O)CCCC(=O)N/N=C/c1c(c6[C@H](c7c(c(c(c(c7)[C@H](c7cc([C@H](c8c(c(c(c([C@H](c(c1O)c6)CC(C)C)c8)O)/C=N/NC(CCCC(=O)N/N=C/2)=O)O)CC(C)C)c(c(c7O)/C=N/NC(=O)CCCC(=O)N/N=C/4)O)CC(C)C)O)/C=N/NC(=O)CCCC(N/N=C/5)=O)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)O.CN(C=O)C.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C.CN(C=O)C.C(=O)N(C)C.O.N(C=O)(C)C.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(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: 17.5086 ± 0.001 Å
• b: 17.6121 ± 0.0009 Å
• c: 19.7087 ± 0.0011 Å
• α: 95.171 ± 0.004°
• β: 107.534 ± 0.005°
• γ: 119.643 ± 0.006°
• Cell volume: 4822.4 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1509
• Residual factor for significantly intense reflections: 0.1175
• Weighted residual factors for significantly intense reflections: 0.3635
• Weighted residual factors for all reflections included in the refinement: 0.3932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.421
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No