Information card for entry 4100271

Structure parameters

• Formula: C32 H36 S7
• Calculated formula: C32 H36 S7
• SMILES: s1c(cc2c1sc1sc3[s]c4[s]c5[s]c6[s]c(cc6c5c4c3c21)CCCCCCCC)CCCCCCCC
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 16.309 ± 0.004 Å
• b: 8.446 ± 0.002 Å
• c: 22.011 ± 0.005 Å
• α: 90°
• β: 94.396 ± 0.006°
• γ: 90°
• Cell volume: 3022.9 ± 1.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No