Information card for entry 4030092

Structure parameters

• Formula: C20 H17 F N4
• Calculated formula: C20 H17 F N4
• SMILES: Fc1c(C)ccc(Nc2n3c(nccc3)nc2c2ccc(cc2)C)c1
• Title of publication: Regioselective Synthesis of 3-Aminoimidazo[1,2-a]-pyrimidines under Continuous Flow Conditions.
• Authors of publication: Butler, Ashlie J. E.; Thompson, Mark J.; Maydom, Patrick J.; Newby, James A.; Guo, Kai; Adams, Harry; Chen, Beining
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 21
• Pages of publication: 10196
• a: 6.232 ± 0.003 Å
• b: 10.854 ± 0.005 Å
• c: 12.929 ± 0.008 Å
• α: 65.452 ± 0.016°
• β: 88.269 ± 0.01°
• γ: 89.109 ± 0.012°
• Cell volume: 795.1 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2165
• Residual factor for significantly intense reflections: 0.1003
• Weighted residual factors for significantly intense reflections: 0.2726
• Weighted residual factors for all reflections included in the refinement: 0.3539
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No