Information card for entry 4020198

Structure parameters

• Formula: C16 H8 S3
• Calculated formula: C16 H8 S3
• SMILES: c1cc2c(cc3c(c2)sc2cc4ccsc4cc32)s1
• Authors of publication: Wex, Brigitte; Kaafarani B. R.; Kirschbaum, Kristin; Neckers, Douglas, C.
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 4502 - 4505
• a: 25.6814 ± 0.0005 Å
• b: 6.0774 ± 0.0001 Å
• c: 3.8911 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 607.31 ± 0.02 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 3
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No