Information card for entry 4031727

Structure parameters

• Formula: C18 H19 N2 O5
• Calculated formula: C18 H20 N2 O5
• SMILES: O=c1nc2O[C@H]3[C@@H](n2cc1C)[C@H](O[C@@H]3OC)COCc1ccccc1
• 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: 6.0713 ± 0.0016 Å
• b: 12.715 ± 0.003 Å
• c: 22.502 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1737.1 ± 0.8 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: 0.2574
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.237
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No