Information card for entry 4024332

Structure parameters

• Formula: C20 H24 N2 O6
• Calculated formula: C20 H24 N2 O6
• SMILES: O1C[C@]2(O[C@@H](N3C(=O)NC(=O)C(=C3)C)C[C@]2(OCc2ccccc2)CC1)CO
• Title of publication: Synthesis of Bicyclic 2'-Deoxynucleosides with α-l-ribo- and β-d-xylo-Configurations and Restricted S- and N-Type Conformations
• Authors of publication: Khalil I. Shaikh; Surender Kumar; Lene Lundhus; Andrew D. Bond; Pawan K. Sharma; Poul Nielsen
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 1557 - 1566
• a: 7.0568 ± 0.0002 Å
• b: 24.1906 ± 0.0008 Å
• c: 10.8673 ± 0.0004 Å
• α: 90°
• β: 101.291 ± 0.002°
• γ: 90°
• Cell volume: 1819.23 ± 0.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0305
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No