Information card for entry 7238790

Structure parameters

• Formula: C15 H11 N3 S
• Calculated formula: C15 H11 N3 S
• Title of publication: Synthesis of fused triazolo[4,5-d]quinoline/chromene/thiochromene derivatives via palladium catalysis mediated by tetrabutylammonium iodide
• Authors of publication: Chen, Chung-Yu; Yang, Cheng-Hao; Hu, Wan-Ping; Kishore Vandavasi, Jaya; Chung, Mei-Ing; Wang, Jeh-Jeng
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 8
• Pages of publication: 2710
• a: 5.9527 ± 0.0003 Å
• b: 10.0187 ± 0.0005 Å
• c: 20.8776 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1245.1 ± 0.11 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No