Information card for entry 2006741

Structure parameters

• Formula: C10 H13 N5 O3
• Calculated formula: C10 H13 N5 O3
• SMILES: n1cnc2c(c1N)ncn2[C@H]1[C@H](O)C[C@H](O1)CO
• Title of publication: β-<small>D</small>-3'-Deoxyadenosine (Cordycepin)
• Authors of publication: P. Karthe; N. Gautham; Anil Kumar; S.B. Katti
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 1694 - 1696
• a: 10.231 ± 0.004 Å
• b: 22.752 ± 0.007 Å
• c: 4.817 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1121.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1311
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections: 0.1281
• Weighted residual factors for significantly intense reflections: 0.091
• Goodness-of-fit parameter for all reflections: 0.844
• Goodness-of-fit parameter for significantly intense reflections: 0.841
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No