Information card for entry 8101325

Structure parameters

• Formula: C52 H64 O12 S4
• Calculated formula: C52 H25 O12 S4
• Title of publication: Crystal structure of tetra[(methoxycarbonyl)methoxy]-p-tert-butylthiacalix [4]arene, C~52~H~64~O~12~S~4~
• Authors of publication: Thuéry, Pierre; Nierlich, Martine; Hall, Annegret K.; Harrowfield, Jack M.; Asfari, Zouhair; Vicens, Jacques
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 4
• Pages of publication: 493 - 495
• a: 11.9539 ± 0.0004 Å
• b: 14.0875 ± 0.0003 Å
• c: 18.2336 ± 0.0007 Å
• α: 77.005 ± 0.002°
• β: 85.833 ± 0.001°
• γ: 65.372 ± 0.002°
• Cell volume: 2718.98 ± 0.15 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1877
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No