Information card for entry 4100187

Structure parameters

• Formula: C22 H26 N2 S4
• Calculated formula: C22 H26 N2 S4
• SMILES: C1(SC(=C(S1)SCCCCC)SCCCCC)=C1C=CC(C=C1)=C(C#N)C#N
• Authors of publication: Javier Garin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 7.4716 ± 0.0008 Å
• b: 8.133 ± 0.001 Å
• c: 20.356 ± 0.002 Å
• α: 97.94 ± 0.01°
• β: 93.89 ± 0.01°
• γ: 104.08 ± 0.01°
• Cell volume: 1181.7 ± 0.2 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