Information card for entry 7235442

Structure parameters

• Formula: C16 H17 N O4 S2
• Calculated formula: C16 H17 N O4 S2
• Title of publication: DMAP-promoted domino annulation of β-ketothioamides with internal alkynes: a highly regioselective access to functionalized 1,3-thiazolidin-4-ones at room temperature
• Authors of publication: Verma, Girijesh Kumar; Shukla, Gaurav; Nagaraju, Anugula; Srivastava, Abhijeet; Raghuvanshi, Keshav; Singh, Maya Shankar
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 23
• Pages of publication: 11640
• a: 5.2501 ± 0.0003 Å
• b: 12.3403 ± 0.0006 Å
• c: 25.2776 ± 0.0016 Å
• α: 90°
• β: 91.844 ± 0.006°
• γ: 90°
• Cell volume: 1636.83 ± 0.16 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No