Information card for entry 2008782

Structure parameters

• Chemical name: trans-N-(6-Bromocyclohex-2-enyl)pyridinium bromide
• Formula: C11 H13 Br2 N
• Calculated formula: C11 H13 Br2 N
• Title of publication: <i>trans</i>-(6-Bromo-2-cyclohexen-1-yl)pyridinium bromide
• Authors of publication: Han, Xinghua; Baker, Ronald J.; Masnovi, John
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 1360 - 1361
• a: 6.955 ± 0.0008 Å
• b: 14.4941 ± 0.0011 Å
• c: 12.2793 ± 0.0008 Å
• α: 90°
• β: 101.523 ± 0.007°
• γ: 90°
• Cell volume: 1212.88 ± 0.19 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.78
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No