Information card for entry 2015900

Structure parameters

• Common name: triacetone aminium nitrate
• Chemical name: 2,2,6,6-Tetramethyl-4-oxopiperidinium nitrate
• Formula: C9 H18 N2 O4
• Calculated formula: C9 H18 N2 O4
• Title of publication: 2,2,6,6-Tetramethyl-4-oxopiperidinium nitrate
• Authors of publication: Rodrigues, V. H.; Cardoso, C.; Paixão, J. A.; Costa, M.M.R.R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o243 - o245
• a: 7.717 ± 0.0004 Å
• b: 19.7883 ± 0.0008 Å
• c: 9.6468 ± 0.0008 Å
• α: 90°
• β: 128.155 ± 0.005°
• γ: 90°
• Cell volume: 1158.38 ± 0.15 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.1
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1637
• Weighted residual factors for all reflections included in the refinement: 0.1907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes