Synthesis of iodobiaryls and dibenzofurans by direct coupling at BDD anodes.
Elsler, B.; Schollmeyer, D.; Waldvogel, S. R.; Faraday discussions 172 (2014) 413–420; doi:10.1039/c4fd00049h

data_1518370
_publ_section_title
;
 Synthesis of iodobiaryls and dibenzofurans by direct coupling at BDD
 anodes.
;
_journal_name_full               'Faraday discussions'
_journal_page_first              413
_journal_page_last               420
_journal_paper_doi               10.1039/c4fd00049h
_journal_volume                  172
_journal_year                    2014
_chemical_formula_moiety         '2(C32 H40 O5), C H2 Cl2'
_chemical_formula_sum            'C65 H82 Cl2 O10'
_chemical_formula_weight         1094.20
_chemical_name_systematic
;
3,6-bis(1,1-dimethylethyl)-9-(3-(1,1dimethylethyl)-2-hydroxy-5-methoxyphenyl)-
2-hydroxy-8-methoxydibenzo[b,d]furan
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 121.9480(11)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   27.3520(12)
_cell_length_b                   10.7150(5)
_cell_length_c                   24.1220(13)
_cell_measurement_reflns_used    4225
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      2.5
_cell_volume                     5998.8(5)
_computing_cell_refinement       'Apex Suite'
_computing_data_collection       'Apex Suite'
_computing_data_reduction        'Apex Suite'
_computing_molecular_graphics    Platon
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    Sir2014
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Smart CCD'
_diffrn_measurement_method       'CCD scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0263
_diffrn_reflns_av_unetI/netI     0.0354
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            16237
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.854
_diffrn_reflns_theta_min         1.829
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    0.165
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.212
_exptl_crystal_description       block
_exptl_crystal_F_000             2344
_exptl_crystal_size_max          0.480
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.280
_refine_diff_density_max         0.514
_refine_diff_density_min         -0.417
_refine_diff_density_rms         0.044
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     372
_refine_ls_number_reflns         7142
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0770
_refine_ls_R_factor_gt           0.0526
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0610P)^2^+4.9670P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1297
_refine_ls_wR_factor_ref         0.1452
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5114
_reflns_number_total             7142
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c4fd00049h2.cif
_cod_data_source_block           12
_cod_database_code               1518370
_shelx_estimated_absorpt_t_min   0.925
_shelx_estimated_absorpt_t_max   0.955
_shelxl_version_number           2013-3
_shelx_res_checksum              58998