Information card for entry 7224148

Structure parameters

• Chemical name: (E)-ethyl 1-(1-(2-(2,4-dinitrophenyl)hydrazono)ethyl)-2-methylcyclopent-2-enecarboxylate
• Formula: C17 H20 N4 O6
• Calculated formula: C17 H20 N4 O6
• SMILES: O=C(OCC)C1(C(=CCC1)C)C(=N\Nc1ccc(N(=O)=O)cc1N(=O)=O)\C
• Title of publication: Gold/Gallium-Catalyzed Annulation of 1,3-Dicarbonyl Com-pounds and Cyclopropylacetylenes for Synthesis of Substi-tuted Cyclopentenes
• Authors of publication: Shi, Xiaodong; Dong, Boliang; Xi, Yumeng; Su, Yijin; Ahkmedov, Novruz G.; Petersen, Jeffrey L.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.3303 ± 0.0006 Å
• b: 7.9078 ± 0.0006 Å
• c: 16.0868 ± 0.0013 Å
• α: 84.514 ± 0.002°
• β: 89.785 ± 0.002°
• γ: 81.048 ± 0.002°
• Cell volume: 916.86 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.112
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.1752
• Weighted residual factors for all reflections included in the refinement: 0.1883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No