Information card for entry 7160807

Structure parameters

• Formula: C66 H53 B2 Cl8 Co2 F2 N5 O7
• Calculated formula: C66 H53 B2 Cl8 Co2 F2 N5 O7
• 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: 17.7167 ± 0.0002 Å
• b: 23.6309 ± 0.0002 Å
• c: 30.1749 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12633.1 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1591
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No