Oxidative Radical Intermolecular Trifluoromethylthioarylation of Styrenes by Arenediazonium Salts and Copper(I) Trifluoromethylthiolate.
Xiao, Zhiwei; Liu, Yongan; Zheng, Liping; Liu, Chao; Guo, Yong; Chen, Qing-Yun; The Journal of organic chemistry 83 (2018) 5836–5843; doi:10.1021/acs.joc.8b00650

data_4034800
_publ_section_title
;
 Oxidative Radical Intermolecular Trifluoromethylthioarylation of Styrenes
 by Arenediazonium Salts and Copper(I) Trifluoromethylthiolate.
;
_journal_issue                   10
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              5836
_journal_page_last               5843
_journal_paper_doi               10.1021/acs.joc.8b00650
_journal_volume                  83
_journal_year                    2018
_chemical_formula_sum            'C22 H19 F3 O S'
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_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
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_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.852(9)
_cell_length_b                   5.609(3)
_cell_length_c                   23.749(14)
_cell_measurement_reflns_used    532
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.484
_cell_measurement_theta_min      2.756
_cell_volume                     1969(2)
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1174
_diffrn_reflns_av_unetI/netI     0.1372
_diffrn_reflns_Laue_measured_fraction_full 0.997
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_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
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_diffrn_reflns_limit_k_min       -6
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_diffrn_reflns_point_group_measured_fraction_full 0.997
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_diffrn_reflns_theta_max         25.997
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_exptl_absorpt_coefficient_mu    0.200
_exptl_absorpt_correction_T_max  1.000
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
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_exptl_crystal_description       rod
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_exptl_crystal_size_mid          0.400
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_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3528
_refine_ls_wR_factor_ref         0.4104
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1233
_reflns_number_total             3841
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jo8b00650_si_003.cif
_cod_data_source_block           a60525a
_cod_original_sg_symbol_H-M      'P 21/n'
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_shelx_estimated_absorpt_t_min   0.856
_shelx_estimated_absorpt_t_max   0.942
_shelx_res_checksum              53950
_shelx_hkl_checksum              43400