Information card for entry 7218398

Structure parameters

• Formula: C24 H18 Cl N O4
• Calculated formula: C24 H18 Cl N O4
• SMILES: Clc1ccc(\C(NCc2ccc(OC)cc2)=C2/C(=O)Oc3c(C2=O)cccc3)cc1
• Title of publication: Three-component reaction between substituted β-nitrostyrenes, β-dicarbonyl compounds and amines: diversity-oriented synthesis of novel β-enaminones
• Authors of publication: Ye, Weijian; Li, Yan; Zhou, Lanxiang; Liu, Juanjuan; Wang, Cunde
• Journal of publication: Green Chem.
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 1
• Pages of publication: 188
• a: 10.6004 ± 0.0018 Å
• b: 13.375 ± 0.002 Å
• c: 16.069 ± 0.002 Å
• α: 82.836 ± 0.004°
• β: 71.805 ± 0.005°
• γ: 89.343 ± 0.005°
• Cell volume: 2146.5 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1751
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.1928
• Weighted residual factors for all reflections included in the refinement: 0.2233
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No