Information card for entry 7714343

Structure parameters

• Formula: C11 H8 O4 S2
• Calculated formula: C11 H8 O4 S2
• Title of publication: Synthesis and Structural Features of Indium(III) furan-2-thiocarboxylates: Efficient Catalytic Activity Toward Multicomponent Reactions via Knoevenagel Condensation
• Authors of publication: Kumar, Krishna; Sahani, Raj Kumar; Garai, Somenath; Bhattacharya, Subrato
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 22.181 ± 0.005 Å
• b: 4.3683 ± 0.0009 Å
• c: 13.63 ± 0.003 Å
• α: 90°
• β: 114.289 ± 0.008°
• γ: 90°
• Cell volume: 1203.8 ± 0.5 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.2327
• Weighted residual factors for all reflections included in the refinement: 0.2438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No