Information card for entry 8100691

Structure parameters

• Common name: p-tetracyanomethyl calixarene[4]
• Formula: C36 H28 N4 O4
• Calculated formula: C36 H28 N4 O4
• Title of publication: Crystal structure of 5,11,17,23-tetrakis-cyanomethyl 25,26,27,28- tetrahydroxycalix[4]arene, C~36~H~28~N~4~O~4~, a test case on microcrystals using synchrotron radiation
• Authors of publication: Lecouvey, M.; Neuman, A.; Prangé, T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 3
• Pages of publication: 445 - 447
• a: 8.98 ± 0.003 Å
• b: 13.45 ± 0.003 Å
• c: 13.46 ± 0.003 Å
• α: 90.11 ± 0.1°
• β: 108.27 ± 0.1°
• γ: 108.3 ± 0.1°
• Cell volume: 1456 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No