Information card for entry 2012977

Structure parameters

• Chemical name: 1,4-diazoniabicyclo[2.2.2]octane bis(maleate)
• Formula: C14 H20 N2 O8
• Calculated formula: C14 H20 N2 O8
• Title of publication: The 2:1 complex of maleic acid and 1,4-diazabicyclo[2.2.2]octane: hydrogen-bonded sheets linked by C‒H···O hydrogen bonds
• Authors of publication: Cui, Rong Sun; Zhi, Min Jin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: o600 - o601
• a: 6.7584 ± 0.0008 Å
• b: 20.145 ± 0.004 Å
• c: 11.255 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1532.3 ± 0.4 ų
• Cell temperature: 289 ± 2 K
• Ambient diffraction temperature: 289 ± 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: 0.042
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes