Iodonium Ion-Catalyzed Domino Synthesis of <i>Z</i>-Selective α,β-Diphenylthio Enones from Easily Accessible Secondary Alcohols.
Sundaravelu, Nallappan; Guha, Somraj; Sekar, Govindasamy; The Journal of organic chemistry 85 (2020) 5895–5906; doi:10.1021/acs.joc.0c00183

data_4038278
_publ_section_title
;
 Iodonium Ion-Catalyzed Domino Synthesis of <i>Z</i>-Selective
 \a,\b-Diphenylthio Enones from Easily Accessible Secondary Alcohols.
;
_journal_issue                   9
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              5895
_journal_page_last               5906
_journal_paper_doi               10.1021/acs.joc.0c00183
_journal_volume                  85
_journal_year                    2020
_chemical_formula_moiety         'C21 H12 Cl2 O S2'
_chemical_formula_sum            'C21 H12 Cl2 O S2'
_chemical_formula_weight         415.33
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_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
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_cell_angle_alpha                72.0273(13)
_cell_angle_beta                 79.5744(13)
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_cell_formula_units_Z            2
_cell_length_a                   8.2801(3)
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_cell_measurement_temperature    296(2)
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_cell_volume                     943.19(6)
_computing_cell_refinement       'Bruker SAINT'
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_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
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_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0148
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.981
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_diffrn_reflns_limit_l_min       -13
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_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         1.990
_exptl_absorpt_coefficient_mu    0.573
_exptl_absorpt_correction_T_max  0.945
_exptl_absorpt_correction_T_min  0.856
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/5(Bruker AXS.Inc)'
_exptl_crystal_colour            purple
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_exptl_crystal_size_max          0.280
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_refine_diff_density_rms         0.040
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         3260
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0446
_refine_ls_R_factor_gt           0.0369
_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^)+(0.0374P)^2^+0.6144P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0952
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_reflns_number_gt                2777
_reflns_number_total             3260
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 4038277--4038278.cif.'
_cod_database_code               4038278
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.856
_shelx_estimated_absorpt_t_max   0.945
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_shelx_hkl_checksum              39749