Information card for entry 4020386

Structure parameters

• Formula: C47 H55 F3 O5 S
• Calculated formula: C47 H55 F3 O5 S
• Title of publication: Narrow-Rim Functionalization of Calix[4]arenes via Sonogashira Coupling Reactions
• Authors of publication: Hassan Al-Saraierh; David O. Miller; Paris E. Georghiou
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 8273 - 8280
• a: 14.0559 ± 0.0014 Å
• b: 24.827 ± 0.002 Å
• c: 12.3001 ± 0.0012 Å
• α: 90°
• β: 92.362 ± 0.002°
• γ: 90°
• Cell volume: 4288.6 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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