Palladium-Catalyzed ortho-Sulfonylation of 2-Aryloxypyridines and Subsequent Formation of ortho-Sulfonylated Phenols.
Xu, Yinfeng; Liu, Ping; Li, Shun-Li; Sun, Peipei; The Journal of organic chemistry 80 (2015) 1269–1274; doi:10.1021/jo5026095

data_4030398
_publ_section_title
;
 Palladium-Catalyzed ortho-Sulfonylation of 2-Aryloxypyridines and
 Subsequent Formation of ortho-Sulfonylated Phenols.
;
_journal_issue                   2
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              1269
_journal_page_last               1274
_journal_paper_doi               10.1021/jo5026095
_journal_volume                  80
_journal_year                    2015
_chemical_formula_moiety         'C18 H14 Br N O3 S'
_chemical_formula_sum            'C18 H14 Br N O3 S'
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_symmetry_space_group_name_Hall  '-P 2ybc'
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_atom_sites_solution_hydrogens   geom
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_cell_angle_beta                 107.902(3)
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_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1997)'
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_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
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_computing_structure_solution    'SHELXS-97(Sheldrick, 1997)'
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_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_h_max       19
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_diffrn_reflns_theta_min         2.64
_diffrn_standards_decay_%        none
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_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    2.574
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_exptl_absorpt_correction_T_min  0.740
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            yellow
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0765P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_depositor_comments
'Adding full bibliography for 4030397--4030398.cif.'
_cod_original_cell_volume        1688.4(7)
_cod_database_code               4030398