Information card for entry 4515629

Structure parameters

• Formula: C13 H15 B F3 K
• Calculated formula: C13 H15 B F3 K
• Title of publication: Catalytic, Enantioselective Synthesis of Allenyl Boronates.
• Authors of publication: Gao, De-Wei; Xiao, Yiyang; Liu, Mingyu; Liu, Zhen; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.
• Journal of publication: ACS catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 3650 - 3654
• a: 9.0823 ± 0.0006 Å
• b: 10.0446 ± 0.0006 Å
• c: 16.7815 ± 0.0011 Å
• α: 72.627 ± 0.001°
• β: 75.846 ± 0.001°
• γ: 89.976 ± 0.001°
• Cell volume: 1412.38 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No