Information card for entry 7124566

Structure parameters

• Formula: C19 H21 B O3
• Calculated formula: C19 H21 B O3
• Title of publication: A metal-free dyotropic-like rearrangement of 2-oxa allylic alcohols in the presence of organoboronic acids.
• Authors of publication: Ye, Weimin; Li, Wenbo; Zhang, Junliang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2014
• Journal volume: 50
• Journal issue: 69
• Pages of publication: 9879 - 9882
• a: 11.2927 ± 0.001 Å
• b: 10.9965 ± 0.001 Å
• c: 13.6864 ± 0.0013 Å
• α: 90°
• β: 107.263 ± 0.003°
• γ: 90°
• Cell volume: 1623 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1693
• Residual factor for significantly intense reflections: 0.1364
• Weighted residual factors for significantly intense reflections: 0.3608
• Weighted residual factors for all reflections included in the refinement: 0.3979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No