Information card for entry 2012581

Structure parameters

• Common name: 4,5'-cyclowyosine.H~2~O
• Chemical name: 4,5'-cyclo-3-β-D-ribofuranosyl- 4,9-dihydro-6-methyl-9-oxoimidazo[1,2-a]purine hydrate
• Formula: C13 H15 N5 O5
• Calculated formula: C13 H15 N5 O5
• SMILES: [C@H]12[C@H](O)[C@H](O)[C@H](O1)CN1c3n2cnc3C(=O)n2c1nc(C)c2.O
• Title of publication: 3,4-Dihydro-6-methyl-3-β-<small>D</small>-ribofuranosyl-4,5'-cyclo-9<i>H</i>-imidazo[1,2-<i>a</i>]purin-9-one hydrate
• Authors of publication: Leban, Ivan; Golankiewicz, Boženna; Zeidler, Joanna; Giester, Gerald; Kobe, Jože
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: o133 - o135
• a: 4.9211 ± 0.0001 Å
• b: 13.3792 ± 0.0002 Å
• c: 20.5881 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1355.53 ± 0.04 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0383
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes