Information card for entry 7160238

Structure parameters

• Formula: C12 H8 F5 N3 O2
• Calculated formula: C12 H8 F5 N3 O2
• Title of publication: TFAA mediated one-pot synthesis of chiral <i>N</i>-protected amino acid-derived 1,2,4-oxadiazoles and their antibacterial studies.
• Authors of publication: Saravanakumar, Srinivasan Pon; Nagasundaram, Nagarajan; DhineshKumar, Jayaraman; Rajalakshmi, Periyaswamy; Lalitha, Appaswami
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• a: 5.2116 ± 0.0002 Å
• b: 7.7885 ± 0.0003 Å
• c: 16.4336 ± 0.0007 Å
• α: 97.903 ± 0.002°
• β: 98.647 ± 0.002°
• γ: 97.738 ± 0.002°
• Cell volume: 644.93 ± 0.05 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.2152
• Weighted residual factors for all reflections included in the refinement: 0.2304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No