Information card for entry 2201234

Structure parameters

• Chemical name: κ^2^N^13^,N^43^Hydro-rac-2,2'-bis[2-(1-propyl benzimidazol-2yl)]biphenyl trifluoromethanesulfonate
• Formula: C33 H31 F3 N4 O3 S
• Calculated formula: C33 H31 F3 N4 O3 S
• Title of publication: κ^2^<i>N</i>^13^,<i>N</i>^13'^-Hydro-<i>rac</i>-2,2'-bis[2-(1-propylbenzimidazol-2yl)]biphenyl trifluoromethanesulfonate, the salt of a novel proton sponge
• Authors of publication: Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: o1142 - o1144
• a: 14.383 ± 0.003 Å
• b: 14.217 ± 0.003 Å
• c: 15.252 ± 0.005 Å
• α: 90°
• β: 92.85 ± 0.01°
• γ: 90°
• Cell volume: 3114.9 ± 1.4 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes