Information card for entry 4100359

Structure parameters

• Formula: C42 H35 F3 N2 O4 S
• Calculated formula: C42 H35 F3 N2 O4 S
• SMILES: S(=O)(=O)([O-])C(F)(F)F.O=C(C)C.N1(c2c(C(c3cccc4cccc(c34)c3c4ccccc4[n+](c4ccccc34)C)c3c1cccc3)cccc2)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 8.407 ± 0.004 Å
• b: 13.578 ± 0.007 Å
• c: 15.815 ± 0.006 Å
• α: 72.28 ± 0.02°
• β: 80.88 ± 0.02°
• γ: 89.7 ± 0.03°
• Cell volume: 1695.9 ± 1.4 ų
• Cell temperature: 133.1 K
• Number of distinct elements: 6
• 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