Information card for entry 2002054

Structure parameters

• Formula: C50 H62 N2 O4
• Calculated formula: C50 H62 N2 O4
• SMILES: N#CCOc1c2cc(cc1Cc1cc(cc(c1OC)Cc1c(c(Cc3c(c(C2)cc(c3)C(C)(C)C)OC)cc(c1)C(C)(C)C)OCC#N)C(C)(C)C)C(C)(C)C
• Title of publication: Structure of 5,11,17,23-tetra-<i>tert</i>-butyl-25,27-dicyanomethoxy-26,28-dimethoxycalix[4]arene
• Authors of publication: Guelzim, A.; Khrifi, S.; Baert, F.; Loeber, C.; Asfari, Z.; Matt, D.; Vicens, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 1
• Pages of publication: 72 - 75
• a: 14.659 ± 0.001 Å
• b: 16.591 ± 0.001 Å
• c: 37.558 ± 0.005 Å
• α: 90°
• β: 90.38 ± 0.01°
• γ: 90°
• Cell volume: 9134.2 ± 1.5 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No