Information card for entry 7134747

Structure parameters

• Formula: C11 H9 Br F3 N O
• Calculated formula: C11 H9 Br F3 N O
• Title of publication: Pd-catalyzed enantioselective reductive Heck reaction of mono-fluoro, <i>gem</i>-difluoro, and trifluoromethyl tethered-alkenes.
• Authors of publication: Sihag, Naveen; Bhartiya, Hemaang; Jain, Swati; Singh, Jitendra; Reddy, S. Rajagopala; Yadav, M. Ramu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 61
• Pages of publication: 11413 - 11416
• a: 7.084 ± 0.003 Å
• b: 10.507 ± 0.005 Å
• c: 16.18 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1204.3 ± 1 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No