Information card for entry 7064380

Structure parameters

• Formula: C15 H11 Cl O3 S2
• Calculated formula: C15 H11 Cl 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: 17.1285 ± 0.0014 Å
• b: 4.0509 ± 0.0003 Å
• c: 22.319 ± 0.0018 Å
• α: 90°
• β: 106.564 ± 0.002°
• γ: 90°
• Cell volume: 1484.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 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: 0.047
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No