Information card for entry 4081208

Structure parameters

• Chemical name: (2Z,3Z)-3-ethoxy-2-[2-(2,4-dinitrophenyl)hidrazono]-4-(4-methoxyphenyl)-1-phenylbut-3-en-1-one
• Formula: C25 H22 N4 O7
• Calculated formula: C25 H22 N4 O7
• SMILES: N(=N\C(=C(/OCC)Cc1ccc(OC)cc1)\C(=O)c1ccccc1)/c1c(cc(cc1)N(=O)=O)N(=O)=O
• Title of publication: Unprecedented Synthesis of 3-Alkenyl-3-ethoxy-2-iminoketones via 1,3-Dipolar Cycloadditions of Nitrones with Alkynyl Fischer Carbene Complexes
• Authors of publication: Flores-Conde, María Inés; Vázquez, Miguel Angel; Reyes, Leonor; Tamariz, Joaquín; Delgado, Francisco
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 15
• Pages of publication: 4244
• a: 9.8392 ± 0.0002 Å
• b: 17.8601 ± 0.0004 Å
• c: 13.596 ± 0.0003 Å
• α: 90°
• β: 95.767 ± 0.002°
• γ: 90°
• Cell volume: 2377.12 ± 0.09 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0958
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.1796
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No