Information card for entry 7100542

Structure parameters

• Formula: C31 H31 N12 O2.5 S1.5
• Calculated formula: C31 H31 N12 O2.5 S1.5
• Title of publication: Hydrogen Bond Directed Synthesis of Pyridazine and Naphthyridine Containing Macrocycles
• Authors of publication: Louis Cuccia; Todd C. Sutherland; Liyan Xing; Ulrich Ziener
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 31.1325 ± 0.0006 Å
• b: 8.5333 ± 0.0002 Å
• c: 22.961 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6099.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No