Information card for entry 7100540

Structure parameters

• Formula: C22 H18 N2 S2
• Calculated formula: C22 H18 N2 S2
• SMILES: S(Cc1c(CSc2ccncc2)cc2c(c1)cccc2)c1ccncc1
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 9.4183 ± 0.0009 Å
• b: 10.0041 ± 0.001 Å
• c: 11.1304 ± 0.0011 Å
• α: 98.066 ± 0.005°
• β: 100.857 ± 0.005°
• γ: 112.583 ± 0.005°
• Cell volume: 924.46 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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