Cobalt-Catalyzed Borylation of Fluorinated Arenes: Thermodynamic Control of C(sp<sup>2</sup>)-H Oxidative Addition Results in <i>ortho</i>-to-Fluorine Selectivity.
Pabst, Tyler P.; Obligacion, Jennifer V.; Rochette, Étienne; Pappas, Iraklis; Chirik, Paul J.; Journal of the American Chemical Society 141 (2019) 15378–15389; doi:10.1021/jacs.9b07984

data_4128970
_publ_section_title
;
 Cobalt-Catalyzed Borylation of Fluorinated Arenes: Thermodynamic Control
 of C(sp<sup>2</sup>)-H Oxidative Addition Results in
 <i>ortho</i>-to-Fluorine Selectivity.
;
_journal_issue                   38
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              15378
_journal_page_last               15389
_journal_paper_doi               10.1021/jacs.9b07984
_journal_volume                  141
_journal_year                    2019
_chemical_formula_sum            'C27 H40 Co F4 N P2'
_chemical_formula_weight         575.47
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
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_cell_measurement_temperature    100(2)
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_cell_volume                     1376.85(6)
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_computing_molecular_graphics    'ORTEP 3 (Farraguia, 1997)'
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_computing_structure_solution    'SIR 92 (Giacavazzo, 1993)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'Bruker APEX2 CCD'
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_diffrn_reflns_theta_min         2.344
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_exptl_absorpt_correction_T_max  0.7463
_exptl_absorpt_correction_T_min  0.6718
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_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0351P)^2^+0.6723P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0787
_refine_ls_wR_factor_ref         0.0834
_reflns_Friedel_coverage         0.000
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja9b07984_si_002.cif
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_shelx_estimated_absorpt_t_min   0.739
_shelx_estimated_absorpt_t_max   0.867
_shelxl_version_number           2014-3
_shelx_res_checksum              739
_shelx_hkl_checksum              55162