Information card for entry 4020982

Structure parameters

• Common name: 2,11,20,29-tetraoxa[3.3.3.3]paracyclophane
• Formula: C32 H32 O4
• Calculated formula: C32 H32 O4
• SMILES: c1cc2COCc3ccc(COCc4ccc(cc4)COCc4ccc(COCc1cc2)cc4)cc3
• Title of publication: Binding of Acetylcholine and Tetramethylammonium to Flexible Cyclophane Receptors: Improving on Binding Ability by Optimizing Host's Geometry
• Authors of publication: Paolo Sarri; Francesca Venturi; Francesco Cuda; Stefano Roelens
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 3654 - 3661
• a: 8.425 ± 0.005 Å
• b: 13.235 ± 0.005 Å
• c: 23.159 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2582.3 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No