Information card for entry 4024947

Structure parameters

• Formula: C16 H26 N2 O8
• Calculated formula: C16 H26 N2 O8
• SMILES: O(C)C(=O)C[C@]1(O[C@H]([C@H]2OC(O[C@@H]12)(C)C)[C@@H]1OC(OC1)(C)C)NC(=O)N
• 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: 8.6461 ± 0.0018 Å
• b: 7.1193 ± 0.0014 Å
• c: 15.751 ± 0.003 Å
• α: 90°
• β: 102.406 ± 0.018°
• γ: 90°
• Cell volume: 946.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.1096
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.185
• Weighted residual factors for all reflections included in the refinement: 0.1961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No