Information card for entry 7157078

Structure parameters

• Formula: C16 H14 N2 O3
• Calculated formula: C16 H14 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: 7.6987 ± 0.0004 Å
• b: 11.0695 ± 0.0005 Å
• c: 16.7175 ± 0.0008 Å
• α: 90°
• β: 98.836 ± 0.001°
• γ: 90°
• Cell volume: 1407.77 ± 0.12 ų
• Cell temperature: 304 ± 2 K
• Ambient diffraction temperature: 304 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1377
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.2007
• Weighted residual factors for all reflections included in the refinement: 0.224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.452
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No