Pd(II)-Catalyzed Direct Sulfonylation of Benzylamines Using Sodium Sulfinates.
Karmakar, Ujjwal; Samanta, Rajarshi; The Journal of organic chemistry 84 (2019) 2850–2861; doi:10.1021/acs.joc.8b03098

data_4033721
_publ_section_title
;
 Pd(II)-Catalyzed Direct Sulfonylation of Benzylamines Using Sodium
 Sulfinates.
;
_journal_issue                   5
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              2850
_journal_page_last               2861
_journal_paper_doi               10.1021/acs.joc.8b03098
_journal_volume                  84
_journal_year                    2019
_chemical_formula_sum            'C19 H16 N2 O3 S'
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_cell_measurement_theta_min      2.720
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '\w scans'
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_diffrn_reflns_Laue_measured_fraction_full 0.999
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_exptl_crystal_description       needle
_exptl_crystal_F_000             736
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
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_refine_diff_density_min         -0.250
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_refine_ls_extinction_coef       0.0107(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
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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^)+(0.0456P)^2^+0.4454P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                2946
_reflns_number_total             3534
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jo8b03098_si_002.cif
_cod_data_source_block           shelx
_cod_original_cell_volume        1727.2(7)
_cod_original_sg_symbol_H-M      'P 21/n'
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