Information card for entry 2234405

Structure parameters

• Chemical name: <i>N</i>-Cyclohexyl-<i>N</i>-{[3-(4,6-dimethoxypyrimidin-2-yloxy)pyridin- 2-yl]methyl}4,6-dimethoxypyrimidin-2-amine
• Formula: C24 H30 N6 O5
• Calculated formula: C24 H30 N6 O5
• SMILES: O(c1cccnc1CN(c1nc(OC)cc(OC)n1)C1CCCCC1)c1nc(OC)cc(n1)OC
• Title of publication: <i>N</i>-Cyclohexyl-<i>N</i>-{[3-(4,6-dimethoxypyrimidin-2-yloxy)pyridin-2-yl]methyl}4,6-dimethoxypyrimidin-2-amine
• Authors of publication: Wang, De-Cai; Wang, Yu-Jing; Song, Jun-Song; Wei, Ping; Ou-yang, Ping-Kai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1272
• a: 7.026 ± 0.0014 Å
• b: 10.624 ± 0.002 Å
• c: 17.084 ± 0.003 Å
• α: 72.95 ± 0.03°
• β: 84.18 ± 0.03°
• γ: 79.56 ± 0.03°
• Cell volume: 1197.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1169
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes