Information card for entry 7126828

Structure parameters

• Formula: C22 H13 F O S2
• Calculated formula: C22 H13 F O S2
• Title of publication: Cu-Catalyzed one-pot synthesis of thiochromeno-quinolinone and thiochromeno-thioflavone via oxidative double hetero Michael addition using in situ generated nucleophiles.
• Authors of publication: Sundaravelu, Nallappan; Sekar, Govindasamy
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 62
• Pages of publication: 8826 - 8829
• a: 11.3658 ± 0.0011 Å
• b: 12.2954 ± 0.0009 Å
• c: 12.4661 ± 0.0014 Å
• α: 90°
• β: 102.113 ± 0.005°
• γ: 90°
• Cell volume: 1703.3 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No