Information card for entry 7235463

Structure parameters

• Formula: C12 H20 N6 O3
• Calculated formula: C12 H20 N6 O3
• Title of publication: Direct synthesis of 5- and 6-substituted 2-aminopyrimidines as potential non-natural nucleobase analogues
• Authors of publication: Radhakrishnan, K.; Sharma, Namita; Kundu, Lal Mohan
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 29
• Pages of publication: 15087
• a: 15.5249 ± 0.0009 Å
• b: 5.5769 ± 0.0003 Å
• c: 18.7323 ± 0.0011 Å
• α: 90°
• β: 112.714 ± 0.003°
• γ: 90°
• Cell volume: 1496.07 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 0.876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No