Information card for entry 1565500

Structure parameters

• Formula: C15 H10 F3 N3 O2 S
• Calculated formula: C15 H10 F3 N3 O2 S
• SMILES: s1cccc1c1oc(nn1)C(=O)NCc1ccc(cc1)C(F)(F)F
• Title of publication: Design, Synthesis, and Antifungal Activity of Novel Thiophene/Furan-1,3,4-Oxadiazole Carboxamides as Potent Succinate Dehydrogenase Inhibitors.
• Authors of publication: Yang, Zihui; Sun, Yue; Liu, Qingsong; Li, Aliang; Wang, Wenyan; Gu, Wen
• Journal of publication: Journal of agricultural and food chemistry
• Year of publication: 2021
• Journal volume: 69
• Journal issue: 45
• Pages of publication: 13373 - 13385
• a: 5.6003 ± 0.0001 Å
• b: 10.154 ± 0.0003 Å
• c: 13.8448 ± 0.0003 Å
• α: 105.521 ± 0.002°
• β: 92.92 ± 0.002°
• γ: 102.47 ± 0.002°
• Cell volume: 735.72 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No