Information card for entry 2217443

Structure parameters

• Chemical name: 1-[Bicyclo[4.2.0]octa-1(6),2,4-trien-3-yl]-3-(but-3-enyl)imidazolium bromide
• Formula: C15 H17 Br N2
• Calculated formula: C15 H17 Br N2
• SMILES: [Br-].n1(c2ccc3CCc3c2)c[n+](cc1)CCC=C
• Title of publication: 1-[Bicyclo[4.2.0]octa-1(6),2,4-trien-3-yl]-3-(but-3-enyl)imidazolium bromide
• Authors of publication: Fang-Hua Zhu; Jun-Xiao Yang; Lin Zhang; Ru-Gang Xie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o433 - o433
• a: 9.342 ± 0.003 Å
• b: 11.775 ± 0.003 Å
• c: 13.695 ± 0.007 Å
• α: 90°
• β: 107.76 ± 0.03°
• γ: 90°
• Cell volume: 1434.7 ± 1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1227
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes