Information card for entry 7201002

Structure parameters

• Common name: oxazinoquinoline
• Formula: C19 H13 N O2 S2
• Calculated formula: C19 H13 N O2 S2
• Title of publication: Basic alumina-supported highly effective Suzuki‒Miyaura cross-coupling reaction under microwave irradiation: application to fused tricyclic oxa-aza-quinolones
• Authors of publication: Saha, Pritam; Naskar, Subhendu; Paira, Priyankar; Hazra, Abhijit; Sahu, Krishnendu B.; Paira, Rupankar; Banerjee, Sukdeb; Mondal, Nirup B.
• Journal of publication: Green Chemistry
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 931
• a: 8.655 ± 0.002 Å
• b: 9.619 ± 0.003 Å
• c: 10.727 ± 0.003 Å
• α: 83.143 ± 0.005°
• β: 72.938 ± 0.004°
• γ: 64.907 ± 0.004°
• Cell volume: 773.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No