Information card for entry 2225086

Structure parameters

• Chemical name: 1-Bromomethyl-4-aza-1-azoniabicyclo[2.2.2]octane bromide
• Formula: C7 H14 Br2 N2
• Calculated formula: C7 H14 Br2 N2
• Title of publication: 1-Bromomethyl-4-aza-1-azoniabicyclo[2.2.2]octane bromide
• Authors of publication: Finke, Aaron D.; Gray, Danielle L.; Moore, Jeffrey S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o377
• a: 7.11 ± 0.0003 Å
• b: 11.8085 ± 0.0005 Å
• c: 11.7702 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 988.21 ± 0.07 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections included in the refinement: 0.0515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes