Direct C-H arylation of (hetero)arenes with aryl iodides via rhodium catalysis.
Yanagisawa, Shuichi; Sudo, Tomoko; Noyori, Ryoji; Itami, Kenichiro; Journal of the American Chemical Society 128 (2006) 11748–11749; doi:10.1021/ja064500p

data_4101374
_publ_section_title
;
 Direct C-H arylation of (hetero)arenes with aryl iodides via rhodium
 catalysis.
;
_journal_issue                   36
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11748
_journal_page_last               11749
_journal_paper_doi               10.1021/ja064500p
_journal_volume                  128
_journal_year                    2006
_chemical_formula_sum            'C19 H6 Cl F36 O7 P2 Rh'
_chemical_formula_weight         1230.54
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.0000(5)
_cell_angle_beta                 105.3324(7)
_cell_angle_gamma                90.0000(5)
_cell_formula_units_Z            8
_cell_length_a                   33.050(5)
_cell_length_b                   17.903(2)
_cell_length_c                   13.525(2)
_cell_measurement_temperature    173(2)
_cell_volume                     7717.8(19)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0312
_diffrn_reflns_av_sigmaI/netI    0.0291
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            30758
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.05
_exptl_absorpt_coefficient_mu    0.404
_exptl_absorpt_correction_T_max  0.9236
_exptl_absorpt_correction_T_min  0.9236
_exptl_crystal_density_diffrn    1.059
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2368
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.616
_refine_diff_density_min         -0.586
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.105
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     595
_refine_ls_number_reflns         8832
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.105
_refine_ls_R_factor_all          0.0503
_refine_ls_R_factor_gt           0.0419
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0534P)^2^+9.5980P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1010
_refine_ls_wR_factor_ref         0.1075
_reflns_number_gt                7644
_reflns_number_total             8832
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja064500psi20060626_030606.cif
_cod_data_source_block           rhp2
_cod_database_code               4101374