Information card for entry 7235441

Structure parameters

• Formula: C22 H17 N O6 S
• Calculated formula: C22 H17 N O6 S
• 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: 7.1542 ± 0.001 Å
• b: 10.7836 ± 0.0015 Å
• c: 13.6937 ± 0.0016 Å
• α: 100.555 ± 0.01°
• β: 102.81 ± 0.011°
• γ: 96.767 ± 0.011°
• Cell volume: 998.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No