Information card for entry 2108385

Structure parameters

• Formula: C26 H26 N4 O4
• Calculated formula: C26 H26 N4 O4
• Title of publication: Acid‒ammonium heterodimer and N~(ammonium)~‒H···N~(pyridine)~ synthon preference in three salts of nicotinic acid with (1<i>R</i>,2<i>R</i>)-1,2-diphenylethylenediamine
• Authors of publication: Han, Yang; Fu, Qiang; Zhang, Peng; Guan, Hongyu; Guo, Fang
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 2
• a: 23.479 ± 0.006 Å
• b: 8.602 ± 0.002 Å
• c: 16.899 ± 0.004 Å
• α: 90°
• β: 129.963 ± 0.005°
• γ: 90°
• Cell volume: 2615.9 ± 1.1 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes