Information card for entry 7129478

Structure parameters

• Formula: C22 H14 Cl N3
• Calculated formula: C22 H14 Cl N3
• Title of publication: Pd-Catalyzed annulation of imidazo[1,2-a]pyridines with coumarins and indoles: Synthesis of benzofuran and indole fused heterocycles
• Authors of publication: Subbarayappa, Adimurthy; Semwal, Rashmi; Bhadani, Gaurav
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 17.667 ± 0.002 Å
• b: 13.2247 ± 0.0015 Å
• c: 7.127 ± 0.0007 Å
• α: 90°
• β: 98.212 ± 0.005°
• γ: 90°
• Cell volume: 1648.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1066
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1328
• 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