Information card for entry 7100324

Structure parameters

• Formula: C76 H120 O4
• Calculated formula: C76 H120 O4
• SMILES: O(c1c2Cc3c(OCCCCCCCCCCCC)c(ccc3)Cc3c(OCCCCCCCCCCCC)c(Cc4c(OCCCCCCCCCCCC)c(Cc1ccc2)ccc4)ccc3)CCCCCCCCCCCC
• Title of publication: Amphiphilic Behavior of an Apparently Non-polar Calix-arene
• Authors of publication: Anthony Coleman; Srinivasan S. Kuduva; Patrick Shahgaldian; Michael J. Zaworotko
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 18.76 ± 0.003 Å
• b: 19.969 ± 0.003 Å
• c: 36.601 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13711 ± 4 ų
• Cell temperature: 175 ± 2 K
• Ambient diffraction temperature: 175 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No