Information card for entry 2224728

Structure parameters

• Chemical name: Ethane-1,2-diyl bis(pyridine-3-carboxylate)
• Formula: C14 H12 N2 O4
• Calculated formula: C14 H12 N2 O4
• SMILES: O=C(c1cccnc1)OCCOC(=O)c1cccnc1
• Title of publication: Ethane-1,2-diyl bis(pyridine-3-carboxylate)
• Authors of publication: Brito, Iván; Vallejos, Javier; López-Rodríguez, Matías; Cárdenas, Alejandro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o114
• a: 4.074 ± 0.0014 Å
• b: 21.3404 ± 0.0007 Å
• c: 7.395 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 642.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.271
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes