Information card for entry 1555371

Structure parameters

• Formula: C14 H11 N O2 S2
• Calculated formula: C14.4167 H11 N O2 S1.8438
• SMILES: c12ccccc1[C@@](CC#C)(NS2(=O)=O)c1sccc1
• 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: 7.5169 ± 0.0003 Å
• b: 10.5263 ± 0.0005 Å
• c: 16.5993 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1313.42 ± 0.1 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 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: 0.0283
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No