Information card for entry 4021128

Structure parameters

• Formula: C29 H30 N6 O5
• Calculated formula: C29 H30 N6 O4
• SMILES: N(C(=O)c1cc(cc(c1)C(=O)Nc1ncc(cc1)C)C(=O)Nc1ncc(cc1)C)c1ncc(cc1)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: 4.8751 ± 0.0008 Å
• b: 14.134 ± 0.002 Å
• c: 19.687 ± 0.003 Å
• α: 93.62 ± 0.003°
• β: 95.106 ± 0.003°
• γ: 90.008 ± 0.003°
• Cell volume: 1348.4 ± 0.4 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