Information card for entry 4020720

Structure parameters

• Formula: C70 H68 O14
• Calculated formula: C70 H68 O14
• SMILES: Cc1ccc(cc1)COc1c2cccc1Cc1c(OCC(=O)OC)c(ccc1)Cc1cccc(c1OCC(=O)OC)Cc1c(OCc3ccc(C)cc3)c(ccc1)Cc1cccc(c1OCC(=O)OC)Cc1cccc(c1OCC(=O)OC)C2
• Title of publication: Synthesis and Conformational Studies on Hexa-O-alkyl p-Unsubstituted Calix[6]arenes
• Authors of publication: José C. Iglesias-Sánchez; Beatriz Souto; César J. Pastor; Javier de Mendoza; Pilar Prados
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 10400 - 10407
• a: 12.0726 ± 0.0007 Å
• b: 22.2121 ± 0.0011 Å
• c: 12.0726 ± 0.0007 Å
• α: 90°
• β: 113.741 ± 0.002°
• γ: 90°
• Cell volume: 2963.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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