Information card for entry 4021131

Structure parameters

• Formula: C38 H54 N6 O
• Calculated formula: C38 H54 N6 O
• SMILES: N(Cc1c(c(c(c(c1CC)CNc1nc(cc(c1)C)C)CC)CNc1nc(cc(c1)C)C)CC)c1nc(cc(c1)C)C.OCC
• Title of publication: Molecular Recognition of Carbohydrates with Acyclic Pyridine-Based Receptors
• Authors of publication: Monika Mazik; Wolfgang Radunz; Roland Boese
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 7448 - 7462
• a: 8.588 ± 0.007 Å
• b: 14.619 ± 0.011 Å
• c: 15.233 ± 0.013 Å
• α: 66.06 ± 0.03°
• β: 86.84 ± 0.02°
• γ: 88.45 ± 0.02°
• Cell volume: 1745 ± 2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• 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