Information card for entry 7100940

Structure parameters

• Formula: C34 H42 Cl6 N8 S8
• Calculated formula: C34 H42 Cl6 N8 S8
• SMILES: N1=C2SC[C@@]1(C)C1=N[C@](C3=N[C@](C4=N[C@](C5=N[C@](C6=N[C@](C7=N[C@](C8=N[C@]2(CS8)C)(CS7)C)(CS6)C)(CS5)C)(CS4)C)(CS3)C)(CS1)C.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Facile Synthesis of Chiral Cyclic Oligothiazolines: A Novel Structural Motif of Macrocyclic Molecule
• Authors of publication: Tohru Fukuyama; Mui Cheung; Fu She Han; Hiroyuki Osajima; Hidetoshi Tokuyama
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 8.87 ± 0.0004 Å
• b: 12.009 ± 0.0009 Å
• c: 12.744 ± 0.0009 Å
• α: 116.294 ± 0.003°
• β: 88.966 ± 0.005°
• γ: 101.443 ± 0.005°
• Cell volume: 1189.07 ± 0.13 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No