Information card for entry 1570693

Structure parameters

• Formula: C22 H23 B F N O2
• Calculated formula: C22 H23 B F N O2
• SMILES: Fc1ccc(c2c(c3c(cccc3)cc2N)B2OC(C)(C)C(O2)(C)C)cc1
• Title of publication: Ligand-controlled regiodivergent Ni-catalyzed <i>trans</i>-hydroboration/carboboration of internal alkynes with B₂pin₂.
• Authors of publication: Chen, Zunsheng; Nie, Biao; Li, Xiaoning; Liu, Teng; Li, Chunsheng; Huang, Jiuzhong
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 2236 - 2242
• a: 9.8733 ± 0.0009 Å
• b: 11.5417 ± 0.001 Å
• c: 17.0581 ± 0.0017 Å
• α: 90°
• β: 95.13 ± 0.009°
• γ: 90°
• Cell volume: 1936.1 ± 0.3 ų
• Cell temperature: 169.99 ± 0.1 K
• Ambient diffraction temperature: 169.99 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0627
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No