Information card for entry 2005217

Structure parameters

• Formula: C21 H23 N5 O3
• Calculated formula: C21 H22 N5 O3
• Title of publication: 9-Benzyl-7-[(<i>E</i>)-2-butenyl]-2,3-dihydro-6-hydroxy-1,3-dimethylpyrimido[2,1-<i>f</i>]purine-4,8(1<i>H</i>,9<i>H</i>)-dione
• Authors of publication: Das, A. K.; Dutta, M.; Mazumdar, S. K.; Mazumdar, B.; Mukhopadhyay, A.; Talapatra, S. K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 2076 - 2078
• a: 15.754 ± 0.001 Å
• b: 19.29 ± 0.001 Å
• c: 13.205 ± 0.001 Å
• α: 90°
• β: 92.1 ± 0.01°
• γ: 90°
• Cell volume: 4010.2 ± 0.4 ų
• Cell temperature: 296 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 significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.062
• Goodness-of-fit parameter for significantly intense reflections: 1.98
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No