Information card for entry 4031728

Structure parameters

• Formula: C17 H21 N O7
• Calculated formula: C17 H21 N O7
• SMILES: O1[C@H](COCc2ccccc2)[C@H]2C(=N(O[C@H]2[C@H]1OC)=O)C(=O)OCC
• Title of publication: Methyl-α-d-2-selenonyl Pent-2-enofuranoside: A Reactive Selenosugar for the Diversity Oriented Synthesis of Enantiomerically Pure Heterocycles, Carbocycles, and Isonucleosides.
• Authors of publication: Bhaumik, Atanu; Pathak, Tanmaya
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 21
• Pages of publication: 11057 - 11064
• a: 5.807 ± 0.005 Å
• b: 14.774 ± 0.005 Å
• c: 20.829 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1787 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2035
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1802
• Weighted residual factors for all reflections included in the refinement: 0.2628
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No