Information card for entry 7154517

Structure parameters

• Chemical name: 5-(4-fluorophenyl)-8-methyl-4-(phenylamino)pyrano[3',4':5,6]pyrano[2,3-d]pyrimidin-6(5H)-one
• Formula: C23 H16 F N3 O3
• Calculated formula: C23 H16 F N3 O3
• SMILES: Fc1ccc(C2c3c(Oc4ncnc(Nc5ccccc5)c24)cc(oc3=O)C)cc1
• Title of publication: One-pot three-component domino protocol for the synthesis of novel pyrano[2,3-d]pyrimidines as antimicrobial and anti-biofilm agents.
• Authors of publication: Suresh, Lingala; Poornachandra, Y.; Kanakaraju, S.; Ganesh Kumar, C.; Chandramouli, G. V. P.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 26
• Pages of publication: 7294 - 7306
• a: 12.699 ± 0.0004 Å
• b: 9.0798 ± 0.0003 Å
• c: 16.4608 ± 0.0005 Å
• α: 90°
• β: 101.323 ± 0.001°
• γ: 90°
• Cell volume: 1861.06 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No