Information card for entry 1575698

Structure parameters

• Chemical name: hq
• Formula: C26 H34 B2 Br2 N6 O2
• Calculated formula: C26 H34 B2 Br2 N6 O2
• Title of publication: Photoinduced boryl-oximation of alkenes <i>via</i> NHC-boryl radical generation.
• Authors of publication: Huang, Qiang; Li, Na; Zhang, Panke; Li, Hongji
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 41
• Pages of publication: 19263 - 19270
• a: 6.1608 ± 0.0015 Å
• b: 13.731 ± 0.003 Å
• c: 17.545 ± 0.004 Å
• α: 90.119 ± 0.008°
• β: 90.084 ± 0.01°
• γ: 94.565 ± 0.009°
• Cell volume: 1479.5 ± 0.6 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 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: 0.0474
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No