Information card for entry 7238938

Structure parameters

• Chemical name: (E)-ethyl 2-(2-(2-(2,4-dinitrophenyl)hydrazono)-2-phenylethyl)-2,5-dimethyl-7-phenylbenzo[d][1,3]dioxole-4-carboxylate
• Formula: C32 H27 N4 O8
• Calculated formula: C32 H27 N4 O8
• Title of publication: Selective synthesis of oxygen-containing heterocycles via tandem reactions of 1,2-allenic ketones with ethyl 4-chloroacetoacetate
• Authors of publication: Wang, Qiang; Xu, Zhouqing; Fan, Xuesen
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 13
• Pages of publication: 4156
• a: 10.085 ± 0.002 Å
• b: 11.302 ± 0.002 Å
• c: 13.269 ± 0.003 Å
• α: 80.76 ± 0.03°
• β: 78.81 ± 0.03°
• γ: 82.3 ± 0.03°
• Cell volume: 1456.1 ± 0.5 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: 0.0884
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1609
• Weighted residual factors for all reflections included in the refinement: 0.1756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No