Information card for entry 2005489

Structure parameters

• Formula: C13 H16 N4 O4 S2
• Calculated formula: C13 H16 N4 O4 S2
• SMILES: OC[C@H]([C@H]1O[C@H]([C@H]2[C@@H]1O2)n1nc2c(c1)c(SC)nc(n2)SC)O
• Title of publication: A [3.1.0]-Fused 2',3'-Modified β-<small>D</small>-Pyrazolo[3,4-<i>d</i>]pyrimidine Nucleoside
• Authors of publication: Biswas, G.; Chandra, T.; Garg, N.; Bhakuni, D. S.; Pramanik, A.; Avasthi, K.; Maulik, P. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 10
• Pages of publication: 2563 - 2566
• a: 7.529 ± 0.004 Å
• b: 20.689 ± 0.012 Å
• c: 30.469 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4746 ± 4 ų
• Cell temperature: 302.3 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.087
• Goodness-of-fit parameter for significantly intense reflections: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No