Information card for entry 2200399

Structure parameters

• Chemical name: 2,2'-bipyridyl-9-boroniumbicyclo[3.3.1]nonane trifluoromethanesulfonate
• Formula: C19 H22 B F3 N2 O3 S
• Calculated formula: C19 H22 B F3 N2 O3 S
• SMILES: S(=O)(=O)([O-])C(F)(F)F.[n]12ccccc1c1[n](cccc1)[B]12C2CCCC1CCC2
• Title of publication: (2,2'-Bipyridyl-<i>N</i>,<i>N</i>')(bicyclo[3.3.1]nonane-<i>C</i>^1^,<i>C</i>^5^)boronium trifluoromethanesulfonate
• Authors of publication: Ma, Kuangbiao; Bats, Jan W.; Wagner, Matthias
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 9
• Pages of publication: o846 - o848
• a: 9.2198 ± 0.0019 Å
• b: 10.3158 ± 0.0014 Å
• c: 10.7956 ± 0.0011 Å
• α: 112.511 ± 0.009°
• β: 96.598 ± 0.01°
• γ: 93.007 ± 0.01°
• Cell volume: 937 ± 0.3 ų
• Cell temperature: 146 ± 2 K
• Ambient diffraction temperature: 146 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes