Information card for entry 7156832

Structure parameters

• Formula: C15 H21 N O3 S
• Calculated formula: C15 H21 N O3 S
• Title of publication: Manganese(iii) acetate-mediated direct C(sp²)-H-sulfonylation of enamides with sodium and lithium sulfinates.
• Authors of publication: Kramer, Philipp; Krieg, Sara-Cathrin; Kelm, Harald; Manolikakes, Georg
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 22
• Pages of publication: 5538 - 5544
• a: 10.1301 ± 0.0002 Å
• b: 6.6395 ± 0.0001 Å
• c: 23.1337 ± 0.0005 Å
• α: 90°
• β: 91.894 ± 0.002°
• γ: 90°
• Cell volume: 1555.09 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No