Information card for entry 2013017

Structure parameters

• Chemical name: 2-Aminopyridinium-succinate-succinic acid (2/1/1)
• Formula: C18 H24 N4 O8
• Calculated formula: C18 H24 N4 O8
• SMILES: c1(cccc[nH+]1)N.C(=O)(CCC(=O)O)O.C(=O)(CCC(=O)[O-])[O-].c1(cccc[nH+]1)N
• Title of publication: 2-Aminopyridinium‒succinate‒succinic acid (2/1/1)
• Authors of publication: Büyükgüngör, Orhan; Odabas̨oǧlu, Mustafa
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: o691 - o692
• a: 10.228 ± 0.002 Å
• b: 5.184 ± 0.001 Å
• c: 19.047 ± 0.004 Å
• α: 90°
• β: 103.6 ± 0.03°
• γ: 90°
• Cell volume: 981.6 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.06
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes