Information card for entry 2006675

Structure parameters

• Chemical name: 5,11,17,23-Tetra-tert-butyl-25, 27-bis[2-(p-nitrobenzalamino)ethoxy]-26,28-dihydroxycalix[4]arene
• Formula: C62 H72 N4 O8
• Calculated formula: C62 H72 N4 O8
• SMILES: O(c1c2cc(cc1Cc1c(O)c(Cc3c(OCC/N=C/c4ccc(N(=O)=O)cc4)c(Cc4c(O)c(C2)cc(c4)C(C)(C)C)cc(c3)C(C)(C)C)cc(c1)C(C)(C)C)C(C)(C)C)CC/N=C/c1ccc(N(=O)=O)cc1
• Title of publication: 5,11,17,23-Tetra-tert-butyl-26,28-dihydroxy-25,27-bis[2-(p-nitrobenzylidene-amino)ethoxy]calix[4]arene
• Authors of publication: Zhang, Wen-Chun; Chen, Xue-An; Zhao, Ling; Huang, Zhi-Tang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 1644 - 1647
• a: 12.702 ± 0.003 Å
• b: 14.653 ± 0.003 Å
• c: 17.715 ± 0.002 Å
• α: 88.722 ± 0.012°
• β: 77.38 ± 0.02°
• γ: 66.64 ± 0.02°
• Cell volume: 2946.1 ± 1.1 ų
• Cell temperature: 293 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 significantly intense reflections: 0.0626
• Weighted residual factors for all reflections: 0.1862
• Weighted residual factors for significantly intense reflections: 0.1527
• Goodness-of-fit parameter for all reflections: 0.852
• Goodness-of-fit parameter for significantly intense reflections: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No