Information card for entry 4100425

Structure parameters

• Formula: C30 H18 O2 S4
• Calculated formula: C30 H18 O2 S4
• SMILES: s1c(C(=O)c2ccccc2)ccc1c1sc(cc1)c1sc(cc1)c1sc(cc1)C(=O)c1ccccc1
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 6.0174 ± 0.0008 Å
• b: 7.4293 ± 0.001 Å
• c: 52.685 ± 0.007 Å
• α: 90°
• β: 93.137 ± 0.002°
• γ: 90°
• Cell volume: 2351.8 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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