Information card for entry 7133469

Structure parameters

• Chemical name: Bruker D8- Venture
• Formula: C15 H12 F3 N O3 S
• Calculated formula: C15 H12 F3 N O3 S
• Title of publication: 2,3-Difunctionalization of quinones: a gold-catalyzed cascade approach for trifluoromethyl-amination or sulfoximination.
• Authors of publication: Sharma, Alpa; Govande, Vijaya; Mahajan, Shivangani; Sawant, Sanghapal D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 71
• Pages of publication: 9598 - 9601
• a: 5.624 ± 0.004 Å
• b: 25.714 ± 0.014 Å
• c: 11.107 ± 0.005 Å
• α: 90°
• β: 103.105 ± 0.019°
• γ: 90°
• Cell volume: 1564.4 ± 1.6 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1198
• Residual factor for significantly intense reflections: 0.0954
• Weighted residual factors for significantly intense reflections: 0.2433
• Weighted residual factors for all reflections included in the refinement: 0.2534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0548
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No