Information card for entry 7238792

Structure parameters

• Formula: C18 H17 N3 O4
• Calculated formula: C18 H17 N3 O4
• 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: 9.7873 ± 0.0002 Å
• b: 13.851 ± 0.0003 Å
• c: 11.8661 ± 0.0002 Å
• α: 90°
• β: 90.573 ± 0.002°
• γ: 90°
• Cell volume: 1608.53 ± 0.06 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• 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: 0.0471
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No