Arylation of heterocycles via rhodium-catalyzed C-H bond functionalization.
Lewis, Jared C.; Wiedemann, Sean H.; Bergman, Robert G.; Ellman, Jonathan A.; Organic letters 6 (2004) 35–38; doi:10.1021/ol035985e

data_1506874
_publ_section_title
;
 Arylation of heterocycles via rhodium-catalyzed C-H bond
 functionalization.
;
_journal_issue                   1
_journal_name_full               'Organic letters'
_journal_page_first              35
_journal_page_last               38
_journal_paper_doi               10.1021/ol035985e
_journal_volume                  6
_journal_year                    2004
_chemical_formula_sum            'C48 H82 Cl N2 O P2 Rh'
_chemical_formula_weight         903.49
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Wed Sep 10 15:18:29 2003'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                92.496(1)
_cell_angle_beta                 94.349(1)
_cell_angle_gamma                97.292(1)
_cell_formula_units_Z            2
_cell_length_a                   10.6406(9)
_cell_length_b                   11.014(1)
_cell_length_c                   21.713(2)
_cell_measurement_reflns_used    4210
_cell_measurement_temperature    151.2
_cell_measurement_theta_max      24.5
_cell_measurement_theta_min      2.0
_cell_volume                     2513.2(4)
_computing_cell_refinement       'Bruker SAINT v5.04'
_computing_data_collection       'Bruker SMART v5.0'
_computing_data_reduction        'Bruker SAINT v5.04'
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SIR97
_diffrn_measured_fraction_theta_full 0.9448
_diffrn_measured_fraction_theta_max 0.9448
_diffrn_measurement_device_type  'SMART CCD'
_diffrn_measurement_method       \w-scan
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.042
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            8081
_diffrn_reflns_theta_full        24.72
_diffrn_reflns_theta_max         24.72
_exptl_absorpt_coefficient_mu    0.490
_exptl_absorpt_correction_T_max  0.971
_exptl_absorpt_correction_T_min  0.486
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.194
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       columnar
_exptl_crystal_size_max          0.370
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.060
_refine_diff_density_max         0.65
_refine_diff_density_min         -0.96
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.865
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     511
_refine_ls_number_reflns         4962
_refine_ls_R_factor_gt           0.0527
_refine_ls_shift/su_max          0.0139
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0630
_reflns_number_gt                4962
_reflns_number_total             8081
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            ol035985esi20031012_095234.cif
_cod_data_source_block           Jared_Lewis_Rh-benzimidizo
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C48 H82 Cl N2 O P2 Rh '
_cod_database_code               1506874