Information card for entry 7212229

Structure parameters

• Common name: Dinicotinic acid DABCO
• Formula: C26 H34 N6 O8
• Calculated formula: C26 H34 N6 O8
• Title of publication: Mechanochemical preparation of adducts (co-crystals and molecular salts) of 1,4-diazabicyclo-[2.2.2]-octane with aromatic polycarboxylic acids
• Authors of publication: Marivel, Samipillai; Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 2107
• a: 21.223 ± 0.002 Å
• b: 6.675 ± 0.001 Å
• c: 10.304 ± 0.001 Å
• α: 90°
• β: 116.45 ± 0.01°
• γ: 90°
• Cell volume: 1306.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No