Information card for entry 7225591

Structure parameters

• Formula: C19 H12 F N3
• Calculated formula: C19 H12 F N3
• SMILES: Fc1ncc(c2ccc(c3nc4c(nc3)cccc4)cc2)cc1
• Title of publication: One-step approach for the synthesis of functionalized quinoxalines mediated by T3P®‒DMSO or T3P® via a tandem oxidation‒condensation or condensation reaction
• Authors of publication: Harsha, Kachigere B.; Rangappa, Kanchugarkoppal S.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 62
• Pages of publication: 57154
• a: 12.6875 ± 0.0004 Å
• b: 6.8467 ± 0.0002 Å
• c: 33.0184 ± 0.001 Å
• α: 90°
• β: 95.813 ± 0.002°
• γ: 90°
• Cell volume: 2853.48 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No