Information card for entry 4020958

Structure parameters

• Formula: C62 H74 O7 S4
• Calculated formula: C62 H74 O7 S4
• Title of publication: Synthesis and Conformational Evaluation of p-tert-Butylthiacalix[4]arene-crowns
• Authors of publication: Fijs W. B. van Leeuwen; Hans Beijleveld; Huub Kooijman; Anthony L. Spek; Willem Verboom; David N. Reinhoudt
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 3928 - 3936
• a: 15.327 ± 0.002 Å
• b: 15.272 ± 0.002 Å
• c: 27.561 ± 0.004 Å
• α: 90°
• β: 96.322 ± 0.012°
• γ: 90°
• Cell volume: 6412.1 ± 1.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No