Information card for entry 2011251

Structure parameters

• Formula: C11 H13 N5 O2
• Calculated formula: C11 H13 N5 O2
• SMILES: n1cnc2c(c1N)ncn2[C@H]1C(=C)[C@H](OC1)CO
• Title of publication: Two isomeric dideoxynucleosides
• Authors of publication: Swenson, Dale C.; Nair, Vasu; Bera, Sanjib
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: e343 - e345
• a: 9.727 ± 0.002 Å
• b: 16.632 ± 0.004 Å
• c: 7.104 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1149.3 ± 0.5 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No