Information card for entry 7100301

Structure parameters

• Formula: C76 H68 N4 O4
• Calculated formula: C76 H68 N4 O4
• SMILES: c12ccc(C(=O)N(CCCC)c3ccc(C#Cc4ccc(C#Cc5ccc(N(C(=O)c6ccc(cc6)C(=O)N(CCCC)c6ccc(C#Cc7ccc(C#Cc8ccc(N(C1=O)CCCC)cc8)cc7)cc6)CCCC)cc5)cc4)cc3)cc2
• Title of publication: Stereospecific change in conformation upon complexation of an exoditopic tetraamide host with a bis(ammonium) guest: chiral recognition and strong CD signaling
• Authors of publication: R. Katoono; H. Kawai; K. Fujiwara; T. Suzuki
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 18.788 ± 0.004 Å
• b: 8.9758 ± 0.0019 Å
• c: 18.881 ± 0.004 Å
• α: 90°
• β: 90.193 ± 0.006°
• γ: 90°
• Cell volume: 3184 ± 1.2 ų
• Cell temperature: 153.1 K
• Number of distinct elements: 4
• 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: No
• Has Fobs: No