Information card for entry 7125428

Structure parameters

• Chemical name: (E)-8-(2-fluoro-1-iodo-2-phenylvinyl)-4-methyldihydro-4l4,8l4-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborole-2,6(3H,5H)-dione
• Formula: C13 H12 B F I N O4
• Calculated formula: C13 H12 B F I N O4
• Title of publication: Synthesis of fluorinated amphoteric organoborons via iodofluorination of alkynyl and alkenyl MIDA boronates.
• Authors of publication: Fan, Wen-Xin; Li, Ji-Lin; Lv, Wen-Xin; Yang, Ling; Li, Qingjiang; Wang, Honggen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 82 - 85
• a: 27.8895 ± 0.0003 Å
• b: 6.8639 ± 0.0001 Å
• c: 34.3921 ± 0.0003 Å
• α: 90°
• β: 105.296 ± 0.001°
• γ: 90°
• Cell volume: 6350.48 ± 0.13 ų
• Cell temperature: 99.99 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No