Information card for entry 7126187

Structure parameters

• Formula: C14 H17 B Br N O5
• Calculated formula: C14 H17 B Br N O5
• Title of publication: Halohydroxylation of alkenyl MIDA boronates: switchable stereoselectivity induced by B(MIDA) substituent.
• Authors of publication: Zeng, Yao-Fu; Liu, Xu-Ge; Tan, Dong-Hang; Fan, Wen-Xin; Li, Yi-Na; Guo, Yu; Wang, Honggen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 31
• Pages of publication: 4332 - 4335
• a: 21.4754 ± 0.0005 Å
• b: 6.47129 ± 0.00011 Å
• c: 24.0236 ± 0.0006 Å
• α: 90°
• β: 114.374 ± 0.003°
• γ: 90°
• Cell volume: 3041.07 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0609
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No