Information card for entry 4100956

Structure parameters

• Formula: C8 H4 F3 N O4 S
• Calculated formula: C8 H4 F3 N O4 S
• SMILES: S1(=O)(=O)Oc2c(cccc2)C2(ON12)C(F)(F)F
• Authors of publication: Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 8.298 ± 0.002 Å
• b: 14.819 ± 0.004 Å
• c: 8.293 ± 0.002 Å
• α: 90°
• β: 110.067 ± 0.004°
• γ: 90°
• Cell volume: 957.8 ± 0.4 ų
• Cell temperature: 118 K
• Ambient diffraction temperature: 118 K
• Number of distinct elements: 6
• 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