Information card for entry 4030094

Structure parameters

• Formula: C20 H25 Cl N4
• Calculated formula: C20 H25 Cl N4
• SMILES: Clc1ccc(c2nc3ncccn3c2NC(CC(C)(C)C)(C)C)cc1
• 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: 12.4646 ± 0.0008 Å
• b: 13.6468 ± 0.0007 Å
• c: 11.9725 ± 0.0006 Å
• α: 90°
• β: 93.606 ± 0.004°
• γ: 90°
• Cell volume: 2032.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0541
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No