Information card for entry 1513599

Structure parameters

• Formula: C22 H22 N4 O7
• Calculated formula: C22 H22 N4 O7
• SMILES: O1C(N)=C(C#N)C(c2c(nn(c3ccccc3)c12)C(=O)OC)(CC(=O)OCC)C(=O)OCC
• 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: 8.549 ± 0.005 Å
• b: 11.18 ± 0.005 Å
• c: 12.73 ± 0.005 Å
• α: 91.165 ± 0.005°
• β: 104.363 ± 0.005°
• γ: 110.189 ± 0.005°
• Cell volume: 1098.7 ± 0.9 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: 0.1002
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1858
• Weighted residual factors for all reflections included in the refinement: 0.2153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No