Palladium-Catalyzed, Site-Selective Direct Allylation of Aryl C-H Bonds by Silver-Mediated C-H Activation: A Synthetic and Mechanistic Investigation.
Lee, Sarah Yunmi; Hartwig, John F.; Journal of the American Chemical Society 138 (2016) 15278–15284; doi:10.1021/jacs.6b10220

data_4131144
_publ_section_title
;
 Palladium-Catalyzed, Site-Selective Direct Allylation of Aryl C-H Bonds
 by Silver-Mediated C-H Activation: A Synthetic and Mechanistic
 Investigation.
;
_journal_issue                   46
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              15278
_journal_page_last               15284
_journal_paper_doi               10.1021/jacs.6b10220
_journal_volume                  138
_journal_year                    2016
_chemical_formula_sum            'C28 H27 Ag F O4 P'
_chemical_formula_weight         585.33
_chemical_name_common            SY4-140
_chemical_name_systematic        hartwig130
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_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 91.606(2)
_cell_angle_gamma                113.393(2)
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_cell_length_b                   15.0661(7)
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_cell_measurement_theta_min      2.54
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_computing_cell_refinement       'Bruker SAINT'
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_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0487
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_diffrn_refln_scan_rate          10
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_diffrn_reflns_limit_l_min       -18
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_diffrn_reflns_point_group_measured_fraction_full 0.997
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_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.409
_diffrn_reflns_theta_min         1.540
_diffrn_source                   'microfocus rotating anode'
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         15865
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_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0531
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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^)+(0.0531P)^2^+0.9545P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             15865
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja6b10220_si_002.cif
_cod_data_source_block           hartwig130
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_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.957
_shelx_estimated_absorpt_t_max   0.982
_shelx_res_checksum              80096
_shelx_hkl_checksum              61193