Information card for entry 7059441

Structure parameters

• Chemical name: 12a-bromo-6b,12a-dihydro-12H-chromeno[2',3':4,5]furo[3,2-c]quinolin-12-one
• Formula: C18 H10 Br N O3
• Calculated formula: C18 H10 Br N O3
• SMILES: Br[C@@]12Oc3c([C@H]2Oc2c(C1=O)cccc2)cnc1c3cccc1.Br[C@]12Oc3c([C@@H]2Oc2c(C1=O)cccc2)cnc1c3cccc1
• Title of publication: Synthesis of 2-aroylfuro[3,2-c]quinolines from quinolone-based chalcones and evaluation of their antioxidant and anticholinesterase activities
• Authors of publication: Ferreira, João P. S.; Cardoso, Susana M.; Almeida Paz, Filipe A.; Silva, Artur M. S.; Silva, Vera L. M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 16
• Pages of publication: 6501 - 6509
• a: 15.6773 ± 0.0018 Å
• b: 6.7908 ± 0.0008 Å
• c: 15.3495 ± 0.0019 Å
• α: 90°
• β: 118.405 ± 0.004°
• γ: 90°
• Cell volume: 1437.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0377
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No