Information card for entry 4024948

Structure parameters

• Formula: C11 H14 N2 O5
• Calculated formula: C11 H14 N2 O5
• SMILES: O1C(O[C@@H]2[C@H]1[C@H](N1C(=O)NC(=O)C=C21)CO)(C)C
• Title of publication: An Efficient Route to Acyclic C-Nucleosides and Fused-Ring Analogues of Uridine fromexo-Glycals
• Authors of publication: Gérald Enderlin; Claude Taillefumier; Claude Didierjean; Yves Chapleur
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 8388 - 8391
• a: 7.1811 ± 0.0004 Å
• b: 5.3996 ± 0.0003 Å
• c: 15.6994 ± 0.001 Å
• α: 90°
• β: 91.705 ± 0.003°
• γ: 90°
• Cell volume: 608.48 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0445
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No