Information card for entry 1569654

Structure parameters

• Formula: C19 H21 B Cl F2 N
• Calculated formula: C19 H21 B Cl F2 N
• Title of publication: Chiral <i>gem</i>-difluoroalkyl reagents: <i>gem</i>-difluoroalkyl propargylic borons and <i>gem</i>-difluoroalkyl α-allenols.
• Authors of publication: Zou, Hui-Na; Huang, Meng-Lin; Huang, Ming-Yao; Su, Yu-Xuan; Zhang, Jing-Wei; Zhang, Xin-Yu; Zhu, Shou-Fei
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 34
• Pages of publication: 9186 - 9190
• a: 8.2271 ± 0.0005 Å
• b: 10.3968 ± 0.0007 Å
• c: 21.4304 ± 0.0011 Å
• α: 90°
• β: 96.909 ± 0.006°
• γ: 90°
• Cell volume: 1819.75 ± 0.19 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1428
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No