Information card for entry 7218263

Structure parameters

• Formula: C31 H29 N O2 S
• Calculated formula: C31 H29 N O2 S
• SMILES: S1C2=C(C(C3=C(N2CC1)CC(CC3=O)(C)C)c1ccc(cc1)C)C(=O)c1c2c(ccc1)cccc2
• 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: 16.581 ± 0.005 Å
• b: 11.236 ± 0.005 Å
• c: 14.597 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2719.5 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1184
• Residual factor for significantly intense reflections: 0.0975
• Weighted residual factors for significantly intense reflections: 0.2822
• Weighted residual factors for all reflections included in the refinement: 0.3089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No