Information card for entry 2001164

Structure parameters

• Formula: C58 H80 O10
• Calculated formula: C58 H80 O10
• SMILES: COCCOc1c2cc(cc1Cc1cc(cc(c1OCC(=O)OCC)Cc1c(c(Cc3c(c(C2)cc(c3)C(C)(C)C)OCC(=O)OCC)cc(c1)C(C)(C)C)OCCOC)C(C)(C)C)C(C)(C)C
• Title of publication: Structure of diethyl 5,11,17,23-tetra-<i>tert</i>-butyl-26,28-bis(2-methoxyethoxy)calix[4]arene-25,27-bis(oxyacetate)
• Authors of publication: Guelzim, A.; Khrifi, S.; Baert, F.; Asfari, Z.; Vicens, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 12
• Pages of publication: 2121 - 2124
• a: 25.767 ± 0.002 Å
• b: 13.897 ± 0.002 Å
• c: 19.867 ± 0.004 Å
• α: 90°
• β: 126.91 ± 0.01°
• γ: 90°
• Cell volume: 5688.3 ± 1.7 ų
• Cell temperature: 293 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.062
• Goodness-of-fit parameter for significantly intense reflections: 2.31
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No