Information card for entry 7151168

Structure parameters

• Formula: C13 H15 I N4 O
• Calculated formula: C13 H15 I N4 O
• Title of publication: Synthesis of 4-substituted-1,2,3-triazole carbanucleoside analogues of ribavirin via click chemistry.
• Authors of publication: Pérez-Castro, Isabel; Caamaño, Olga; Fernández, Franco; García, Marcos D; López, Carmen; De Clercq, Erik
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 23
• Pages of publication: 3805 - 3813
• a: 7.4415 ± 0.0013 Å
• b: 21.445 ± 0.004 Å
• c: 8.9163 ± 0.0015 Å
• α: 90°
• β: 104.154 ± 0.002°
• γ: 90°
• Cell volume: 1379.7 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• 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: 0.0389
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No