Information card for entry 8100171

Structure parameters

• Common name: para tetraacethyl tetramethoxy calix[4]arene, dioxane half-solvate
• Formula: C42 H44 O9
• Calculated formula: C42 H44 O9
• Title of publication: Crystal structure of 5,11,17,23-tetraacetyl 25,26,27,28-tetramethoxycalix [4]arene dioxane hemisolvate, C~40~H~40~O~8~ · 0.5C~4~H~8~O~2~
• Authors of publication: Mbemba, Cyrille; Neuman, Alain; Prangé, Thierry; Lecouvey, Marc
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 4
• Pages of publication: 368 - 370
• a: 10.447 ± 0.002 Å
• b: 18.926 ± 0.002 Å
• c: 18.575 ± 0.002 Å
• α: 90°
• β: 91.68 ± 0.09°
• γ: 90°
• Cell volume: 3671.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No