Information card for entry 4100427

Structure parameters

• Formula: C41 H61 Cl2 N11 O9
• Calculated formula: C39 H55 Cl2 N11 O7
• SMILES: [Cl-].[Cl-].O=C1NCCC[NH+]2CCCNC(=O)c3nc(C(=O)NCCC[NH+](CCCNC(=O)c4nc1ccc4)CCCNC(=O)c1nc(C(=O)NCCC2)ccc1)ccc3.O
• Title of publication: Anion Binding Motifs: Topicity and Charge in Amidocryptands
• Authors of publication: Kang Sung-Ok; Powell, Douglas; Bowman-James, Kristin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 11.968 ± 0.009 Å
• b: 13.961 ± 0.009 Å
• c: 15.856 ± 0.012 Å
• α: 92.877 ± 0.016°
• β: 105.566 ± 0.015°
• γ: 98.843 ± 0.016°
• Cell volume: 2510 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No