Information card for entry 1513598

Structure parameters

• Formula: C20 H15 N2 O7
• Calculated formula: C20 H18 N2 O7
• SMILES: o1c2ccccc2c2OC(=C(C(c2c1=O)(CC(=O)OCC)C(=O)OCC)C#N)N
• Title of publication: Magnetically retrievable nano crystalline CuFe2O4 catalyzed multi-component reaction: a facile and efficient synthesis of functionalized dihydropyrano[2,3-c]pyrazole, pyrano[3,2-c]coumarin and 4H-chromene derivatives in aqueous media
• Authors of publication: Pradhan, Koyel; Paul, Sanjay; Das, Asish R.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 3
• Pages of publication: 822
• a: 7.8507 ± 0.0019 Å
• b: 8.48 ± 0.002 Å
• c: 15.77 ± 0.004 Å
• α: 96.715 ± 0.008°
• β: 90.412 ± 0.009°
• γ: 109.096 ± 0.008°
• Cell volume: 984.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1119
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.2079
• Weighted residual factors for all reflections included in the refinement: 0.2487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No