Information card for entry 7106302

Structure parameters

• Formula: C32 H26 N6 O4
• Calculated formula: C32 H26 N6 O4
• SMILES: c1(c(c(c(c(n1)C)C(=O)OCC)c1ccccc1)C#N)/N=N/c1c(c(c(c(n1)C)C(=O)OCC)c1ccccc1)C#N
• Title of publication: Synthesis of (E)-diethyl 6,6'-(diazene-1,2-diyl)bis(5-cyano-2-methyl-4-phenylnicotinates), a new type of 2,2'-azopyridine dyes
• Authors of publication: da Silva, Daniel Botelho; Samadi, Abdelouahid; Infantes, Lourdes; Carreiras, María do Carmo; Marco-Contelles, José
• Journal of publication: Tetrahedron Letters
• Year of publication: 2010
• Journal volume: 51
• Journal issue: 48
• Pages of publication: 6278 - 6281
• a: 13.581 Å
• b: 8.659 Å
• c: 24.036 Å
• α: 90°
• β: 95.24°
• γ: 90°
• Cell volume: 2814.77 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1639
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No