Information card for entry 7157076

Structure parameters

• Formula: C16 H13 Cl3 N2 O3
• Calculated formula: C16 H13 Cl3 N2 O3
• Title of publication: Diastereoselective multi-component tandem condensation: synthesis of 2-amino-4-(2-furanone)-4H-chromene-3-carbonitriles.
• Authors of publication: Gupta, Vijay; Sahu, Debashish; Jain, Shailja; Vanka, Kumar; Singh, Ravi P.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 39
• Pages of publication: 8853 - 8857
• a: 8.0552 ± 0.0004 Å
• b: 10.2825 ± 0.0005 Å
• c: 11.7512 ± 0.0006 Å
• α: 86.964 ± 0.0012°
• β: 71.0335 ± 0.0012°
• γ: 70.4039 ± 0.0012°
• Cell volume: 865.45 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 297.99 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: 0.0627
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No