Information card for entry 2214001

Structure parameters

• Chemical name: 4-(2-Furyl)-1-(4-methoxybenzyl)-1H-pyrazolo[3,4,d]pyrimidine
• Formula: C17 H14 N4 O2
• Calculated formula: C17 H14 N4 O2
• SMILES: COc1ccc(cc1)Cn1c2c(cn1)c(c1ccco1)ncn2
• Title of publication: 4-(2-Furyl)-1-(4-methoxybenzyl)-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine
• Authors of publication: Brændvang, Morten; Gundersen, Lise-Lotte
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2849 - o2849
• a: 8.2163 ± 0.0015 Å
• b: 8.4765 ± 0.0015 Å
• c: 12.437 ± 0.002 Å
• α: 72.485 ± 0.003°
• β: 74.209 ± 0.003°
• γ: 61.065 ± 0.003°
• Cell volume: 714.6 ± 0.2 ų
• Cell temperature: 112 ± 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 significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes