Information card for entry 7100262

Structure parameters

• Formula: C17 H22 B F4 N S2
• Calculated formula: C17 H22 B F4 N S2
• SMILES: s1c2sc3ccccc3[n+]2c(c1)CCCCCCCC.[B](F)(F)(F)[F-]
• Authors of publication: Masahito Ochiai; Norihiro Tada
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 9.556 ± 0.003 Å
• b: 9.578 ± 0.003 Å
• c: 11.187 ± 0.004 Å
• α: 88.22 ± 0.03°
• β: 110.16 ± 0.03°
• γ: 109.98 ± 0.03°
• Cell volume: 899 ± 0.5 ų
• Cell temperature: 93.1 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