Information card for entry 8100687

Structure parameters

• Formula: C38 H29 N9 S4
• Calculated formula: C38 H29 N9 S4
• SMILES: S(Sc1n(c(nn1)c1sc(nc1C)c1ccccc1)c1ccccc1)c1n(c(nn1)c1sc(nc1C)c1ccccc1)c1ccccc1.N#CC
• Title of publication: Crystal structure of 4-methyl-5-(5-{[5-(4-methyl-2-phenyl-1,3-thiazol- 5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl}disulfanyl]-4-phenyl-4H-1,2,4- triazol-3-yl)-2-phenyl-1,3-thiazol acetonitrile, (C~36~H~26~N~8~S~4~) (C~2~H~3~N)
• Authors of publication: Ramazani, Ali; Morsali, Ali; Jalilian, Amir Reza; Jamali, Fahimeh; Gouranlou, Farideh
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 3
• Pages of publication: 395 - 397
• a: 13.099 ± 0.007 Å
• b: 19.66 ± 0.01 Å
• c: 13.914 ± 0.007 Å
• α: 90°
• β: 94.971 ± 0.011°
• γ: 90°
• Cell volume: 3570 ± 3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 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