Information card for entry 2003685

Structure parameters

• Chemical name: 6-(3,5-Di-O-acetyl-β-D-2-deoxyribofuranosyl)-3,4-dihydro-8-H-pyrimido[4,5-c][1,2]oxazin-7-one
• Formula: C15 H19 N3 O7
• Calculated formula: C15 H19 N3 O7
• Title of publication: 6-(3,5-Di-O-acetyl-β-D-2-deoxyribofuranosyl)-3,4-dihydro-8-H-pyrimido[4,5-c][1,2]oxazin-7-one
• Authors of publication: Van Meervelt, Luc; Kong Thoo Lin, Paul; Brown, Daniel M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1347 - 1350
• a: 14.662 ± 0.003 Å
• b: 5.419 ± 0.001 Å
• c: 21.475 ± 0.004 Å
• α: 90°
• β: 101.66 ± 0.03°
• γ: 90°
• Cell volume: 1671.1 ± 0.6 ų
• Cell temperature: 289 ± 2 K
• Ambient diffraction temperature: 289 ± 2 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: 0.1235
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections: 0.1726
• Weighted residual factors for significantly intense reflections: 0.1468
• Goodness-of-fit parameter for all reflections: 1.073
• Goodness-of-fit parameter for significantly intense reflections: 1.313
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No