Information card for entry 7235465

Structure parameters

• Formula: C14 H14 N6 O2
• Calculated formula: C14 H14 N6 O2
• 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: 12.4798 ± 0.0006 Å
• b: 6.8611 ± 0.0005 Å
• c: 17.0339 ± 0.001 Å
• α: 90°
• β: 95.021 ± 0.005°
• γ: 90°
• Cell volume: 1452.93 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No