Information card for entry 7156663

Structure parameters

• Formula: C19 H9 Br F N O3
• Calculated formula: C19 H9 Br F N O3
• Title of publication: Vilsmeier-Haack reaction of 7-acetyl-2-arylindoles: a convenient method for the synthesis of 6-oxo-6H-pyrrolo[3,2,1-ij]quinoline-1,5-dicarbaldehydes.
• Authors of publication: Mphahlele, Malose J.; Mmonwa, Mmakwena M.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 8
• Pages of publication: 2204 - 2211
• a: 7.3505 ± 0.0004 Å
• b: 15.9493 ± 0.0009 Å
• c: 13.0154 ± 0.0008 Å
• α: 90°
• β: 95.358 ± 0.003°
• γ: 90°
• Cell volume: 1519.2 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0599
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No