Information card for entry 7714348

Structure parameters

• Formula: C10 H5 F N2
• Calculated formula: C10 H5 F N2
• SMILES: Fc1ccc(C=C(C#N)C#N)cc1
• 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: 6.9681 ± 0.0001 Å
• b: 7.3758 ± 0.0001 Å
• c: 9.1552 ± 0.0002 Å
• α: 107.203 ± 0.002°
• β: 98.978 ± 0.002°
• γ: 102.864 ± 0.002°
• Cell volume: 425.581 ± 0.015 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No