Information card for entry 2226657

Structure parameters

• Chemical name: 1-Hydroxy-4-aza-1-azoniabicyclo[2.2.2]octane picrate
• Formula: C12 H15 N5 O8
• Calculated formula: C12 H15 N5 O8
• Title of publication: 1-Hydroxy-4-aza-1-azoniabicyclo[2.2.2]octane picrate
• Authors of publication: Xiao, Jing-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1764
• a: 11.521 ± 0.002 Å
• b: 19.23 ± 0.004 Å
• c: 6.9921 ± 0.0014 Å
• α: 90°
• β: 98.73 ± 0.03°
• γ: 90°
• Cell volume: 1531.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1046
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 0.834
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes