Information card for entry 7218264

Structure parameters

• Formula: C22 H25 N O2 S
• Calculated formula: C22 H25 N O2 S
• SMILES: S1C2=C(C(C3=C(N2CC1)CC(CC3=O)(C)C)c1ccc(cc1)C)C(=O)C
• Title of publication: Catalyst-free one-pot four-component domino reactions in water‒PEG-400: highly efficient and convergent approach to thiazoloquinoline scaffolds
• Authors of publication: Nagaraju, Anugula; Ramulu, B. Janaki; Shukla, Gaurav; Srivastava, Abhijeet; Verma, Girijesh Kumar; Raghuvanshi, Keshav; Singh, Maya Shankar
• Journal of publication: Green Chem.
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 2
• Pages of publication: 950
• a: 6.4263 ± 0.0003 Å
• b: 12.9536 ± 0.0005 Å
• c: 23.9037 ± 0.0011 Å
• α: 90°
• β: 97.062 ± 0.005°
• γ: 90°
• Cell volume: 1974.74 ± 0.15 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: 0.095
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No