Information card for entry 7051499

Structure parameters

• Formula: C54.5 H70.5 Cl1.5 N2 O17
• Calculated formula: C57 H75 Cl3 N2 O18
• Title of publication: Water-soluble macrocyclic receptors for small neutral guests
• Authors of publication: Huuskonen, Juhani; Buston, Jonathan E. H.; Scotchmer, Neil D.; Anderson, Harry L.
• Journal of publication: New Journal of Chemistry
• Year of publication: 1999
• Journal volume: 23
• Journal issue: 12
• Pages of publication: 1245 - 1252
• a: 14.0149 ± 0.0012 Å
• b: 12.7542 ± 0.0012 Å
• c: 17.837 ± 0.002 Å
• α: 90°
• β: 108.711 ± 0.008°
• γ: 90°
• Cell volume: 3019.8 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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