Information card for entry 4034656

Structure parameters

• Formula: C9.33 H8 N2.67 S1.33
• Calculated formula: C9.33333 H8 N2.66667 S1.33333
• Title of publication: Palladium-Catalyzed Template Directed C-5 Selective Olefination of Thiazoles.
• Authors of publication: Achar, Tapas Kumar; Biswas, Jyoti Prasad; Porey, Sandip; Pal, Tapas; Ramakrishna, Kankanala; Maiti, Siddhartha; Maiti, Debabrata
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 12
• Pages of publication: 8315 - 8321
• a: 3.9295 ± 0.0004 Å
• b: 18.2181 ± 0.0016 Å
• c: 10.247 ± 0.001 Å
• α: 90°
• β: 97.12 ± 0.009°
• γ: 90°
• Cell volume: 727.91 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• 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: 0.0867
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1698
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No