Information card for entry 1515968

Structure parameters

• Formula: C52 H82 N4 O23
• Calculated formula: C52 H60 N4 O23
• SMILES: [NH+]1(Cc2cc3c(O)c(c2)Cc2c(O)c(cc(c2)CN2[C@@H](CCC2)C(=O)O)Cc2c(O)c(cc(c2)C[NH+]2[C@@H](CCC2)C(=O)[O-])Cc2c(O)c(cc(c2)CN2[C@@H](CCC2)C(=O)O)C3)[C@@H](CCC1)C(=O)[O-].O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Supramolecular binary hydrogels from calixarenes and amino acids and their entrapment‒release of model dye molecules
• Authors of publication: Zhang, Jie; Guo, Dong-Sheng; Wang, Li-Hua; Wang, Zhen; Liu, Yu
• Journal of publication: Soft Matter
• Year of publication: 2011
• Journal volume: 7
• Journal issue: 5
• Pages of publication: 1756
• a: 19.723 ± 0.004 Å
• b: 18.459 ± 0.004 Å
• c: 17.842 ± 0.003 Å
• α: 90°
• β: 112.245 ± 0.006°
• γ: 90°
• Cell volume: 6012 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1449
• Residual factor for significantly intense reflections: 0.1233
• Weighted residual factors for significantly intense reflections: 0.328
• Weighted residual factors for all reflections included in the refinement: 0.3516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.221
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No