Information card for entry 7235455

Structure parameters

• Chemical name: '4N-((7-hydroxy-2-oxo-4-(trifluoromethyl)-2H-chromen-8-yl) (4-methoxyphenyl)methyl)acetamide'
• Formula: C20 H16 F3 N O5
• Calculated formula: C20 H16 F3 N O5
• Title of publication: Synthesis of amidoalkyl chromen-2-ones by one pot three component reaction under solvent free conditions
• Authors of publication: Emmadi, Narender Reddy; Atmakur, Krishnaiah; Chennapuram, Madhu; Nanubolu, Jagadeesh Babu
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 28
• Pages of publication: 14501
• a: 14.8017 ± 0.001 Å
• b: 13.8173 ± 0.0009 Å
• c: 17.9104 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3663 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No