Information card for entry 8101473

Structure parameters

• Formula: C48 H66 O6 P S
• Calculated formula: C48 H57 O6 P S
• Title of publication: Crystal structure of [mono-O-(diethoxy)thiophosphonato]tetra-tert- butylcalix[4]arene, C48H66O6PS
• Authors of publication: Selkti, M.; Coleman, A. W.; Routaboul, J.; Kalchenko, V. I.; Tomas, A.; Villain, F.; de Rango, C.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 2
• Pages of publication: 224 - 226
• a: 13.563 ± 0.002 Å
• b: 20.834 ± 0.003 Å
• c: 17.156 ± 0.003 Å
• α: 90°
• β: 106.86 ± 0.02°
• γ: 90°
• Cell volume: 4639.4 ± 1.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• 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: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1605
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No