Information card for entry 1518047

Structure parameters

• Formula: C12 H20 Cl F2 N3 O5
• Calculated formula: C12 H20 Cl F2 N3 O5
• SMILES: [Cl-].FC1(F)[C@H](O[C@@H]([C@@]1(C)CO)CO)n1c(=O)[nH+]c(cc1)N.OC
• Title of publication: Dual-face nucleoside scaffold featuring a stereogenic all-carbon quaternary center. Intramolecular silicon tethered group-transfer reaction.
• Authors of publication: Tambutet, Guillaume; Becerril-Jiménez, Fabiola; Dostie, Starr; Simard, Ryan; Prévost, Michel; Mochirian, Philippe; Guindon, Yvan
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 21
• Pages of publication: 5698 - 5701
• a: 6.1577 ± 0.0001 Å
• b: 16.993 ± 0.0003 Å
• c: 7.443 ± 0.0001 Å
• α: 90°
• β: 91.874 ± 0.001°
• γ: 90°
• Cell volume: 778.4 ± 0.02 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.023
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No