Information card for entry 7133408

Structure parameters

• Formula: C10 H7 F3 O2
• Calculated formula: C10 H7 F3 O2
• 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: 8.51 ± 0.008 Å
• b: 4.956 ± 0.004 Å
• c: 11.481 ± 0.009 Å
• α: 90°
• β: 106.91 ± 0.03°
• γ: 90°
• Cell volume: 463.3 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1122
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.1962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No