Information card for entry 7225942

Structure parameters

• Formula: C16 H13 Br Cl F3 N2
• Calculated formula: C16 H13 Br Cl F3 N2
• Title of publication: Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions
• Authors of publication: Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N.
• Journal of publication: Green Chem.
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 17
• Pages of publication: 4623
• a: 22.7475 ± 0.0015 Å
• b: 11.3014 ± 0.0007 Å
• c: 27.0251 ± 0.0016 Å
• α: 90°
• β: 104.181 ± 0.006°
• γ: 90°
• Cell volume: 6735.9 ± 0.7 ų
• Cell temperature: 120.02 ± 0.16 K
• Ambient diffraction temperature: 120.02 ± 0.16 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1118
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No