Information card for entry 4100381

Structure parameters

• Formula: C60 H48 S2
• Calculated formula: C60 H48 S2
• SMILES: c12c3cccccc3c(c1)[C@@H](c1ccc(s1)[C@H](c1c3cccccc3c(c1)[C@H](c1sc(cc1)[C@@H]2c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 26.021 ± 0.002 Å
• b: 9.986 ± 0.001 Å
• c: 16.95 ± 0.002 Å
• α: 90°
• β: 99.94 ± 0.01°
• γ: 90°
• Cell volume: 4338.3 ± 0.7 ų
• Cell temperature: 446 ± 2 K
• Ambient diffraction temperature: 446 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No