Information card for entry 8101465

Structure parameters

• Formula: C60 H86 O14 P2
• Calculated formula: C60.184 H81 O14 P2
• Title of publication: Crystal structure of 1,3-bis(diethoxyphosphoryl)-2,4-bis(ethylacetate)- p-tert-butylcalix[4]arene, C60H86O14P2
• Authors of publication: Thuéry, Pierre; Nierlich, Martine; Abidi, Rym; Asfari, Zouhair; Vicens, Jacques
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 2
• Pages of publication: 154 - 156
• a: 13.5594 ± 0.0006 Å
• b: 21.164 ± 0.002 Å
• c: 21.365 ± 0.002 Å
• α: 90°
• β: 95.424 ± 0.01°
• γ: 90°
• Cell volume: 6104 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1142
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No