Mechanistic Study of the Role of Substrate Steric Effects and Aniline Inhibition on the Bis(trineopentylphosphine)palladium(0)-Catalyzed Arylation of Aniline Derivatives
Hu, Huaiyuan; Qu, Fengrui; Gerlach, Deidra L.; Shaughnessy, Kevin H.; ACS Catalysis 7 (2017) 2516–; doi:10.1021/acscatal.7b00024

data_4514063
_publ_section_title
;
 Mechanistic Study of the Role of Substrate Steric Effects and Aniline
 Inhibition on the Bis(trineopentylphosphine)palladium(0)-Catalyzed
 Arylation of Aniline Derivatives
;
_journal_issue                   4
_journal_name_full               'ACS Catalysis'
_journal_page_first              2516
_journal_paper_doi               10.1021/acscatal.7b00024
_journal_volume                  7
_journal_year                    2017
_chemical_formula_moiety         'C30 H64 Br2 P2 Pd2'
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_symmetry_space_group_name_Hall  '-P 2ybc'
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_diffrn_source                   'fine focus sealed X-ray tube'
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         7589
_refine_ls_number_restraints     60
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0453
_refine_ls_R_factor_gt           0.0316
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0328P)^2^+5.7173P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_total             7589
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            cs7b00024_si_003.cif
_cod_data_source_block           EH12_0m_a
_cod_depositor_comments
'Adding full bibliography for 4514063--4514064.cif.'
_cod_database_code               4514063
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.747
_shelx_estimated_absorpt_t_max   0.886
_shelx_res_checksum              15254
_shelx_hkl_checksum              12570