Information card for entry 4020808

Structure parameters

• Formula: C28 H32 O8
• Calculated formula: C28 H32 O8
• SMILES: c12C(=O)OCC3(COC(c4ccc(C5(C)OCC(COC(=O)c(cc1)cc2)(CO5)C)cc4)(C)OC3)C
• Title of publication: Design and Synthesis of New Macrocyclic Cyclophanes Using 1,3-Dioxane Units as Bridges: A Molecular "Rocking Chair"
• Authors of publication: Mirela Balog; Ion Grosu; Gérard Plé; Yvan Ramondenc; Eric Condamine; Richard A. Varga
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 1337 - 1345
• a: 25.067 ± 0.003 Å
• b: 5.9507 ± 0.0008 Å
• c: 33.816 ± 0.005 Å
• α: 90°
• β: 100.497 ± 0.002°
• γ: 90°
• Cell volume: 4959.9 ± 1.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No