Information card for entry 7101176

Structure parameters

• Formula: C7 H10 N O2.5 S
• Calculated formula: C7 H10 N O2.5 S
• SMILES: c1(c(C)n(c(C)s1)=O)C(=O)C.O
• Title of publication: Easy access to the family of thiazole N-oxides using HOF CH3CN
• Authors of publication: Shlomo Rozen; Elizabeta Amir
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 21
• a: 25.7986 ± 0.0015 Å
• b: 6.059 ± 0.0003 Å
• c: 10.8001 ± 0.0006 Å
• α: 90°
• β: 99.793 ± 0.001°
• γ: 90°
• Cell volume: 1663.6 ± 0.16 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No