Information card for entry 4021264

Structure parameters

• Formula: C42 H46 N2 O6
• Calculated formula: C42 H46 N2 O6
• SMILES: C1c2cccc(Cc3cccc(Cc4cccc(Cc5cccc1c5O)c4OCCNC(C)=CC(=O)C)c3O)c2OCCNC(C)=CC(=O)C
• Title of publication: First Synthesis and Structure of β-Ketoimine Calix[4]arenes: Complexation and Extraction Studies
• Authors of publication: Hatem Halouani; Isabelle Dumazet-Bonnamour; Monique Perrin; Roger Lamartine
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 6521 - 6527
• a: 11.505 ± 0.002 Å
• b: 11.831 ± 0.002 Å
• c: 13.798 ± 0.003 Å
• α: 87.57 ± 0.03°
• β: 81.38 ± 0.03°
• γ: 71.05 ± 0.03°
• Cell volume: 1756.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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