Information card for entry 2009771

Structure parameters

• Formula: C18 H21 N5 O3 S
• Calculated formula: C22 H17 N5 O3 S2
• Title of publication: 2,3-Dihydro-6-hydroxy-1,3-dimethyl-7-propyl-9-(2-thienylmethyl)pyrimido[2,1-<i>f</i>]purine-4,8(1<i>H</i>,9<i>H</i>)-dione
• Authors of publication: Das, A. K.; Datta, M.; Mazumdar, S. K.; Bhaumik, G.; Mazumdar, B.; Talapatra, S. K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 6
• Pages of publication: 952 - 954
• a: 11.426 ± 0.001 Å
• b: 16.09 ± 0.001 Å
• c: 11.359 ± 0.001 Å
• α: 90°
• β: 118.37 ± 0.01°
• γ: 90°
• Cell volume: 1837.5 ± 0.3 ų
• Cell temperature: 296 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.068
• Goodness-of-fit parameter for significantly intense reflections: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No