Information card for entry 4030692

Structure parameters

• Formula: C16 H15 Br F3 N O2 S
• Calculated formula: C16 H15 Br F3 N O2 S
• Title of publication: Catalyst-free and metal-free electrophilic bromoamidation of unactivated olefins using the N-bromosuccinimide/sulfonamide protocol.
• Authors of publication: Yu, Wesley Zongrong; Chen, Feng; Cheng, Yi An; Yeung, Ying-Yeung
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 5
• Pages of publication: 2815 - 2821
• a: 6.805 ± 0.002 Å
• b: 8.529 ± 0.003 Å
• c: 15.363 ± 0.005 Å
• α: 74.591 ± 0.007°
• β: 89.569 ± 0.008°
• γ: 87.535 ± 0.007°
• Cell volume: 858.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No