Information card for entry 4020914

Structure parameters

• Formula: C30 H24 Br2 N4 O3 S
• Calculated formula: C30 H24 Br2 N4 O3 S
• SMILES: c1(c2nsnc2c(cc1)c1cc[n+](cc1)Cc1ccccc1)c1cc[n+](cc1)Cc1ccccc1.O.O.[Br-].O.[Br-]
• Title of publication: Synthesis and Characterization of Novel Dipyridylbenzothiadiazole and Bisbenzothiadiazole Derivatives
• Authors of publication: Md. Akhtaruzzaman; Masaaki Tomura; Jun-ichi Nishida; Yoshiro Yamashita
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 2953 - 2958
• a: 22.3292 ± 0.0018 Å
• b: 15.1543 ± 0.001 Å
• c: 8.8149 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2982.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: No
• Has Fobs: No