Information card for entry 7100626

Structure parameters

• Formula: C35 H47 Br F5 N2 O2.5 S
• Calculated formula: C35 H47 Br F5 N2 O2.5 S
• SMILES: [Br-].S(=O)(=O)(Nc1c(c2c(F)c(F)c(F)c(F)c2F)cccc1)c1ccc(cc1)C.O.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Anion-pi Interaction Augments Halide Binding in Solution
• Authors of publication: Darren Johnson; Orion B. Berryman; Fraser Hol
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 10.863 ± 0.004 Å
• b: 16.807 ± 0.006 Å
• c: 21 ± 0.007 Å
• α: 74.118 ± 0.006°
• β: 83.011 ± 0.006°
• γ: 89.974 ± 0.006°
• Cell volume: 3658 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• 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