Mechanistic Studies of Palladium-Catalyzed Aminocarbonylation of Aryl Chlorides with Carbon Monoxide and Ammonia.
Wang, Justin Y.; Strom, Alexandra E.; Hartwig, John F.; Journal of the American Chemical Society 140 (2018) 7979–7993; doi:10.1021/jacs.8b04073

data_4132455
_publ_section_title
;
 Mechanistic Studies of Palladium-Catalyzed Aminocarbonylation of Aryl
 Chlorides with Carbon Monoxide and Ammonia.
;
_journal_issue                   25
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7979
_journal_page_last               7993
_journal_paper_doi               10.1021/jacs.8b04073
_journal_volume                  140
_journal_year                    2018
_chemical_formula_sum            'C29 H50 O2 P2 Pd'
_chemical_formula_weight         599.03
_chemical_name_common            jyw-241
_chemical_name_systematic        hartwig134
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_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_atom_sites_solution_hydrogens   geom
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_cell_angle_beta                 90
_cell_angle_gamma                90
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_computing_cell_refinement       'Bruker SAINT'
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_diffrn_measured_fraction_theta_max 0.999
_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  0.0579
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_max         25.381
_diffrn_reflns_theta_min         1.732
_diffrn_source                   'microfocus sealed tube'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         2755
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_refine_ls_restrained_S_all      1.104
_refine_ls_R_factor_all          0.0352
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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^)+(0.0282P)^2^+4.7473P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_shelx_estimated_absorpt_t_max   0.977
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