Information card for entry 4021263

Structure parameters

• Formula: C53 H60 Cl2 N4 O4
• Calculated formula: C53 H58 Cl2 N4 O4
• 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: 16.579 ± 0.003 Å
• b: 13.251 ± 0.003 Å
• c: 24.292 ± 0.005 Å
• α: 90°
• β: 108.92 ± 0.03°
• γ: 90°
• Cell volume: 5048.6 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No