Information card for entry 7100736

Structure parameters

• Formula: C44 H48 O12
• Calculated formula: C44 H48 O12
• SMILES: OC(=O)CCCOc1c2cccc1Cc1c(OCCCC(=O)O)c(Cc3c(OCCCC(=O)O)c(Cc4cccc(c4OCCCC(=O)O)C2)ccc3)ccc1
• Title of publication: Assembly of a Novel Supramolecular Synthon of Calix[4]arene Presenting Four Carboxylic Acids
• Authors of publication: A.W. Coleman; Oksana Danylyuk; Adina Lazar; Florent Perret; Kinga Suwinska
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 18.712 ± 0.0004 Å
• b: 18.712 ± 0.0004 Å
• c: 22.74 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7962.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No