Information card for entry 2217446

Structure parameters

• Chemical name: 1-[Bicyclo[4.2.0]octa-1(6),2,4-trien-3-yl]-3-[bicyclo[4.2.0]octa- 1(6),2,4-trien-3-ylmethyl]imidazolium hexafluorophosphate
• Formula: C20 H19 F6 N2 P
• Calculated formula: C20 H19 F6 N2 P
• Title of publication: 1-[Bicyclo[4.2.0]octa-1(6),2,4-trien-3-yl]-3-[bicyclo[4.2.0]octa-1(6),2,4-trien-3-ylmethyl]imidazolium hexafluorophosphate
• Authors of publication: Fang-Hua Zhu; Jun-Xiao Yang; Zhi-Hua Mao; Ru-Gang Xie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o434 - o434
• a: 9.311 ± 0.003 Å
• b: 10.138 ± 0.003 Å
• c: 10.562 ± 0.003 Å
• α: 86.82 ± 0.02°
• β: 86.44 ± 0.02°
• γ: 73.61 ± 0.02°
• Cell volume: 953.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1189
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.2035
• Weighted residual factors for all reflections included in the refinement: 0.2233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes