Information card for entry 2220138

Structure parameters

• Chemical name: (<i>Z</i>)-Ethyl 2-(3-nitrobenzylidene)-3-oxobutanoate
• Formula: C13 H13 N O5
• Calculated formula: C13 H13 N O5
• Title of publication: (<i>Z</i>)-Ethyl 2-(3-nitrobenzylidene)-3-oxobutanoate
• Authors of publication: Shi, Xiaopeng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2462
• a: 27.6055 ± 0.0006 Å
• b: 11.8164 ± 0.0002 Å
• c: 8.2934 ± 0.0001 Å
• α: 90°
• β: 102.829 ± 0.002°
• γ: 90°
• Cell volume: 2637.76 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0748
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes