Information card for entry 7248364

Structure parameters

• Formula: C16 H9 F3 O2 S
• Calculated formula: C16 H9 F3 O2 S
• SMILES: s1c2ccccc2c(O)c1C(=O)c1ccc(cc1)C(F)(F)F
• Title of publication: Facile synthesis of substituted 2-aroylbenzo[b]thiophen-3-ols to form novel triazole hybrids using click chemistry
• Authors of publication: Mukhtar, Asma; Hussain, Arif; Younas, Faiza; Yousuf, Sammer; Saeed, Muhammad
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 15
• Pages of publication: 10270 - 10279
• a: 6.5671 ± 0.001 Å
• b: 7.2171 ± 0.0011 Å
• c: 14.364 ± 0.002 Å
• α: 85.588 ± 0.004°
• β: 81.019 ± 0.004°
• γ: 83.178 ± 0.004°
• Cell volume: 666.5 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0418
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.275
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No