Information card for entry 4000665

Structure parameters

• Common name: 9,10-Bis(methylthio)anthracene
• Formula: C16 H14 S2
• Calculated formula: C16 H14 S2
• SMILES: CSc1c2ccccc2c(c2c1cccc2)SC
• Journal of publication: Chemistry of Materials
• Year of publication: 2005
• a: 5.195 ± 0.0018 Å
• b: 7.458 ± 0.003 Å
• c: 9.002 ± 0.003 Å
• α: 74.066 ± 0.005°
• β: 73.691 ± 0.004°
• γ: 89.762 ± 0.005°
• Cell volume: 320.87 ± 0.19 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No