Information card for entry 7160006

Structure parameters

• Formula: C25 H15 F6 N3 O5 S
• Calculated formula: C25 H15 F6 N3 O5 S
• Title of publication: PIFA-mediated intramolecular <i>N</i>-arylation of 2-aminoquinoxalines to afford indolo[2,3-<i>b</i>]quinoxaline derivatives.
• Authors of publication: Subramaniam, Subhashini V.; Singh, Badal; Pradeep, Natarajan; Peruncheralathan, Saravanan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 28
• Pages of publication: 5803 - 5808
• a: 7.2215 ± 0.0002 Å
• b: 10.8817 ± 0.0003 Å
• c: 16.0374 ± 0.0006 Å
• α: 106.334 ± 0.003°
• β: 92.084 ± 0.003°
• γ: 95.137 ± 0.002°
• Cell volume: 1202.03 ± 0.07 ų
• Cell temperature: 298 ± 0.7 K
• Ambient diffraction temperature: 298 ± 0.7 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1671
• Weighted residual factors for all reflections included in the refinement: 0.1848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No