Information card for entry 7062178

Structure parameters

• Formula: C19 H21 N O2 S2
• Calculated formula: C19 H21 N O2 S2
• Title of publication: Visible-light-mediated C(sp3)–H functionalization of alkyl arylacetates: an easy approach to S-benzyl dithiocarbamate acetates
• Authors of publication: Kumar, Mahesh; Vishwakarma, Ramesh Kumar; Preeti,; Singh, Krishna Nand
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 5
• Pages of publication: 2412 - 2416
• a: 15.3229 ± 0.0003 Å
• b: 8.7687 ± 0.0002 Å
• c: 13.8326 ± 0.0003 Å
• α: 90°
• β: 104.502 ± 0.002°
• γ: 90°
• Cell volume: 1799.36 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0506
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No