Information card for entry 4128044

Structure parameters

• Formula: C17 H20 I N3 O5 S
• Calculated formula: C17 H20 I N3 O5 S
• SMILES: I[C@@H]1[C@H](OCCCN(S(=O)(=O)c2ccc(cc2)C)C1)n1ccc(=O)[nH]c1=O
• Title of publication: New Catalytic Asymmetric Formation of Oxygen Heterocycles Bearing Nucleoside Bases at the Anomeric Carbon.
• Authors of publication: Trost, Barry M.; Xu, Shiyan; Sharif, Ehesan U.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 26
• Pages of publication: 10199 - 10204
• a: 9.7265 ± 0.0006 Å
• b: 10.2667 ± 0.0006 Å
• c: 9.8174 ± 0.0006 Å
• α: 90°
• β: 102.588 ± 0.002°
• γ: 90°
• Cell volume: 956.79 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.0534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No