Information card for entry 7134748

Structure parameters

• Formula: C11 H10 Br F2 N O
• Calculated formula: C11 H10 Br F2 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: 7.2114 ± 0.0005 Å
• b: 8.6463 ± 0.0005 Å
• c: 17.6697 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1101.74 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.068
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1857
• Weighted residual factors for all reflections included in the refinement: 0.1874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No