Information card for entry 4020383

Structure parameters

• Formula: C50 H64 Cl3 I O2 Si
• Calculated formula: C50 H64 Cl3 I O2 Si
• SMILES: Ic1c2Cc3c(O)c(cc(c3)C(C)(C)C)Cc3cc(cc(Cc4cc(cc(Cc1cc(c2)C(C)(C)C)c4O)C(C)(C)C)c3C#C[Si](C)(C)C)C(C)(C)C.ClC(Cl)Cl
• 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: 13.1511 ± 0.0009 Å
• b: 14.4021 ± 0.001 Å
• c: 15.4194 ± 0.0011 Å
• α: 87.811 ± 0.001°
• β: 76.823 ± 0.001°
• γ: 62.993 ± 0.001°
• Cell volume: 2526.3 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No