Information card for entry 1506562

Structure parameters

• Formula: C17 H18 N2 O5
• Calculated formula: C17 H18 N2 O5
• SMILES: O[C@H]1O[C@H](COCc2ccccc2)[C@@H]2n3c(nc(=O)c(c3)C)O[C@H]12
• Title of publication: Convenient synthesis of nucleoside and isonucleoside analogues.
• Authors of publication: Alvarez de Cienfuegos, Luis; Mota, Antonio J.; Robles, Rafael
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 11
• Pages of publication: 2161 - 2164
• a: 10.059 ± 0.0011 Å
• b: 5.9759 ± 0.0007 Å
• c: 13.3917 ± 0.0015 Å
• α: 90°
• β: 108.39 ± 0.002°
• γ: 90°
• Cell volume: 763.89 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No