Information card for entry 2001862

Structure parameters

• Formula: C8 H14 Cl F3 N2 O3 S
• Calculated formula: C8 H20 Cl F3 N2 O3 S
• Title of publication: Structure of the new electrophilic fluorinating agent 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) and two of its monoquaternary analogues
• Authors of publication: Banks, R. E.; Sharif, I.; Pritchard, R. G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 3
• Pages of publication: 492 - 495
• a: 19.877 ± 0.007 Å
• b: 8.769 ± 0.003 Å
• c: 7.138 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1244.2 ± 0.7 ų
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No