Information card for entry 7126769

Structure parameters

• Formula: C8 H5 Br F2 O Se
• Calculated formula: C8 H5 Br F2 O Se
• Title of publication: Synthesis of difluoromethylselenoesters from aldehydes via a radical process.
• Authors of publication: Guo, Rui-Li; Zhu, Xue-Qing; Zhang, Xing-Long; Wang, Yong-Qiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 63
• Pages of publication: 8976 - 8979
• a: 6.062 ± 0.005 Å
• b: 7.902 ± 0.007 Å
• c: 10.845 ± 0.009 Å
• α: 105.988 ± 0.013°
• β: 93.472 ± 0.015°
• γ: 92.468 ± 0.013°
• Cell volume: 497.5 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.1755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No