Information card for entry 7131197

Structure parameters

• Formula: C16 H13 F3 N2 O3 S
• Calculated formula: C16 H13 F3 N2 O3 S
• Title of publication: Dearomative bis-functionalization of quinoxalines and bis-<i>N</i>-arylation of (benz)imidazoles <i>via</i> Cu(II)-mediated addition of boronic acids.
• Authors of publication: Khandelia, Tamanna; Ghosh, Subhendu; Patel, Bhisma K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 15
• Pages of publication: 2118 - 2121
• a: 10.144 ± 0.0005 Å
• b: 17.454 ± 0.0009 Å
• c: 9.2908 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1644.97 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No