Information card for entry 7064381

Structure parameters

• Formula: C16 H13 F O3 S2
• Calculated formula: C16 H13 F O3 S2
• Title of publication: Reactivity study of 4-hydroxydithiocoumarin/4-hydroxythiocoumarin with vinyl ether/cyclic vinyl ether: synthesis of fused novel thiophene derivatives using CuO nanoparticles
• Authors of publication: Kumar, Devendra; Ali, Ahmad; Sood, Mehak; Bharatam, Prasad V.; Khan, Abu Taleb
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• Journal volume: 50
• Journal issue: 17
• Pages of publication: 7438 - 7447
• a: 7.4957 ± 0.0004 Å
• b: 7.5172 ± 0.0004 Å
• c: 13.7183 ± 0.0007 Å
• α: 91.097 ± 0.002°
• β: 90.856 ± 0.001°
• γ: 101.684 ± 0.002°
• Cell volume: 756.69 ± 0.07 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 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: 0.0472
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No