Information card for entry 7220471

Structure parameters

• Formula: C20 H16 N4 O3
• Calculated formula: C20 H16 N4 O3
• Title of publication: Vilsmeier reagent mediated synthesis of 6-[(formyloxy)methyl]-pyrazolopyrimidines via one-pot multiple tandem reaction
• Authors of publication: Lu, Shi-Han; Liu, Po-Lin; Wong, Fung Fuh
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 14.1926 ± 0.0003 Å
• b: 7.2123 ± 0.0002 Å
• c: 34.1402 ± 0.0008 Å
• α: 90°
• β: 98.9 ± 0.002°
• γ: 90°
• Cell volume: 3452.56 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0978
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No