Information card for entry 8100427

Structure parameters

• Formula: C58 H68 O8 S2
• Calculated formula: C58 H68 O8 S2
• SMILES: c1(c2cc(cc1Cc1c(c(Cc3c(c(Cc4c(c(C2)cc(c4)C(C)(C)C)O)cc(c3)C(C)(C)C)OS(=O)(=O)c2ccc(cc2)C)cc(c1)C(C)(C)C)O)C(C)(C)C)OS(=O)(=O)c1ccc(cc1)C
• Title of publication: Crystal structure of 5,11,17,23-tetra-t-butyl-25,27-dihydroxy- 26, 28-di-tosyloxy-calix[4]arene, C~58~H~68~O~8~S~2~
• Authors of publication: Paulus, E. F.; Joswig, W.; Boehmer, V.; Saadioui, M.; Krilow, M.; Peikert-Regelien, M.; Urschel, B.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 4
• Pages of publication: 429 - 431
• a: 23.888 ± 0.005 Å
• b: 11.225 ± 0.002 Å
• c: 21.431 ± 0.004 Å
• α: 90°
• β: 112.41 ± 0.03°
• γ: 90°
• Cell volume: 5312.6 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No