Information card for entry 7133409

Structure parameters

• Formula: C11 H9 Br F3 N O3 S
• Calculated formula: C11 H9 Br F3 N O3 S
• Title of publication: A quick access to CF₃-containing functionalized benzofuranyl, benzothiophene and indolyl heterocycles under catalyst-free conditions.
• Authors of publication: Kazi, Ayazoddin Aunoddin; Manjuladevi, Nadimpalli; Kumar, Salla Suresh; Sharma, Anamika; Singh, L. Ravithej
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 70
• Pages of publication: 9376 - 9379
• a: 5.4629 ± 0.0007 Å
• b: 21.481 ± 0.003 Å
• c: 11.2799 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1323.7 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No