Information card for entry 7122286

Structure parameters

• Formula: C10 H5 F3 N2 O3
• Calculated formula: C10 H5 F3 N2 O3
• Title of publication: Elemental tellurium mediated synthesis of 2-(trifluoromethyl)oxazoles using trifluoroacetic anhydride as reagent.
• Authors of publication: Luo, Beibei; Weng, Zhiqiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 76
• Pages of publication: 10750 - 10753
• a: 10.7939 ± 0.0016 Å
• b: 13.928 ± 0.003 Å
• c: 6.9529 ± 0.0013 Å
• α: 90°
• β: 92.479 ± 0.015°
• γ: 90°
• Cell volume: 1044.3 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.1835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No