Information card for entry 7160808

Structure parameters

• Formula: C19 H12 B Cl F N O2
• Calculated formula: C19 H12 B Cl F N O2
• Title of publication: Diastereoselective amidoboronate formation and transformation from a <i>rac</i> to a different <i>meso</i> amidoboronate <i>via</i> dynamic C-C bonds.
• Authors of publication: Harders, Patrick; Raeker, Tim; Pietsch, Lorenz; Näther, Christian; Hartke, Bernd; McConnell, Anna J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 44
• Pages of publication: 10174 - 10185
• a: 10.93061 ± 0.00014 Å
• b: 15.2964 ± 0.00015 Å
• c: 10.61622 ± 0.00012 Å
• α: 90°
• β: 116.817 ± 0.0015°
• γ: 90°
• Cell volume: 1584.11 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No