Information card for entry 7159116

Structure parameters

• Formula: C24 H15 F N2 S
• Calculated formula: C24 H15 F N2 S
• SMILES: S(c1nc(cc(c1C#N)c1ccccc1)c1ccccc1)c1ccc(F)cc1
• Title of publication: Visible/solar-light-driven thiyl-radical-triggered synthesis of multi-substituted pyridines.
• Authors of publication: Sahoo, Ashish Kumar; Rakshit, Amitava; Pan, Avishek; Dhara, Hirendra Nath; Patel, Bhisma K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 8
• Pages of publication: 1680 - 1691
• a: 13.2258 ± 0.0005 Å
• b: 8.0745 ± 0.0003 Å
• c: 19.2139 ± 0.0008 Å
• α: 90°
• β: 109.317 ± 0.001°
• γ: 90°
• Cell volume: 1936.37 ± 0.13 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 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: 0.0601
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No