Information card for entry 1555373

Structure parameters

• Formula: C16 H13 N O2 S
• Calculated formula: C16 H13 N O2 S
• SMILES: S1(=O)(=O)N[C@@](c2c1cccc2)(CC#C)c1ccccc1
• 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: 10.7582 ± 0.0006 Å
• b: 10.7582 ± 0.0006 Å
• c: 11.4283 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1322.7 ± 0.13 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No