Information card for entry 4030093

Structure parameters

• Formula: C20 H26 N4
• Calculated formula: C20 H26 N4
• SMILES: n12c(c(nc1nccc2)NC(CC(C)(C)C)(C)C)c1ccccc1
• 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: 11.6449 ± 0.0013 Å
• b: 13.8787 ± 0.0015 Å
• c: 11.5724 ± 0.0012 Å
• α: 90°
• β: 96.172 ± 0.006°
• γ: 90°
• Cell volume: 1859.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.0966
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No