Information card for entry 1555372

Structure parameters

• Formula: C15 H17 N O4 S
• Calculated formula: C15 H17 N O4 S
• SMILES: S1(=O)(=O)N[C@@](c2c1cccc2)(CC#C)CCC1OCCO1
• Title of publication: Silver-Catalyzed Enantioselective Propargylation Reactions of N-Sulfonylketimines.
• Authors of publication: Osborne, Charlotte A.; Endean, Thomas B. D.; Jarvo, Elizabeth R.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 21
• Pages of publication: 5340 - 5343
• a: 7.7171 ± 0.0005 Å
• b: 7.9486 ± 0.0005 Å
• c: 23.816 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1460.88 ± 0.16 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• 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: 0.0342
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No