Information card for entry 2006579

Structure parameters

• Chemical name: 1-(2-deoxy-α-D-erythro-pentopyranosyl)-1-(R),2-(R)-4-methyl-4- triazolidine-3,5-dione
• Formula: C8 H13 N3 O5
• Calculated formula: C8 H13 N3 O5
• SMILES: N1(NC(=O)N(C1=O)C)[C@@H]1C[C@@H]([C@@H](CO1)O)O
• Title of publication: (1<i>R</i>,2<i>R</i>)-4-Methylurazole-α-<small>D</small>-pyranosyl-2-deoxyriboside from Reaction of 4-Methylurazole with 2-Deoxy-<small>D</small>-ribose
• Authors of publication: Meyers, Cal Y.; Hou, Yuqing; Kolb, Vera M.; Robinson, Paul D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 1502 - 1505
• a: 9.911 ± 0.0015 Å
• b: 5.404 ± 0.002 Å
• c: 10.0873 ± 0.0013 Å
• α: 90°
• β: 106.347 ± 0.01°
• γ: 90°
• Cell volume: 518.4 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0728
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections: 1.046
• Goodness-of-fit parameter for significantly intense reflections: 1.111
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No