A Radical Coupling Reaction of DMSO with Sodium Arylsulfinates in Air: Mild Utilization of DMSO as C1 Resource for the synthesis of arylsulfonyl dibromomethane
shi, jie; Tang, Xiao-Dong; Wu, Yan-Cheng; Fang, Jiefang; cao, liang; Chen, Xiao-Yun; wang, zhaoyang; RSC Adv.  (2016) –; doi:10.1039/C6RA01393G

data_7224473
_publ_section_title
;
 A Radical Coupling Reaction of DMSO with Sodium Arylsulfinates in Air:
 Mild Utilization of DMSO as C1 Resource for the synthesis of arylsulfonyl
 dibromomethane
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C6RA01393G
_journal_year                    2016
_chemical_formula_moiety         'C8 H8 Br2 O2 S'
_chemical_formula_sum            'C8 H8 Br2 O2 S'
_chemical_formula_weight         328.00
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-04-29 deposited with the CCDC.
2016-03-01 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 92.640(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.048(4)
_cell_length_b                   7.321(4)
_cell_length_c                   18.167(9)
_cell_measurement_temperature    296(2)
_cell_volume                     1069.3(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1069
_diffrn_reflns_av_sigmaI/netI    0.1660
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            5171
_diffrn_reflns_theta_full        25.20
_diffrn_reflns_theta_max         25.20
_diffrn_reflns_theta_min         2.24
_exptl_absorpt_coefficient_mu    7.741
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.037
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             632
_refine_diff_density_max         0.647
_refine_diff_density_min         -0.788
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.884
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     119
_refine_ls_number_reflns         1916
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.884
_refine_ls_R_factor_all          0.1499
_refine_ls_R_factor_gt           0.0669
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1602
_refine_ls_wR_factor_ref         0.2148
_reflns_number_gt                940
_reflns_number_total             1919
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6ra01393g2.cif
_cod_data_source_block           pt
_cod_original_cell_volume        1069.3(9)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7224473