Rhodium-Catalyzed Intermolecular Amidation of Arenes with Sulfonyl Azides via Chelation-Assisted C-H Bond Activation
Ji Young Kim; Sae Hume Park; Jaeyune Ryu; Seung Hwan Cho; Seok Hwan Kim; Sukbok Chang; Journal of the American Chemical Society 134 (2012) 9110–9113; doi:10.1021/ja303527m

data_4118029
_publ_section_title
;
 Rhodium-Catalyzed Intermolecular Amidation of Arenes with Sulfonyl Azides
 via Chelation-Assisted C-H Bond Activation
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9110
_journal_page_last               9113
_journal_paper_doi               10.1021/ja303527m
_journal_volume                  134
_journal_year                    2012
_chemical_formula_sum            'C30 H30 F6 N2 O4 Rh S Sb'
_chemical_formula_weight         853.28
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.9480(10)
_cell_angle_beta                 94.3710(10)
_cell_angle_gamma                90.0200(10)
_cell_formula_units_Z            4
_cell_length_a                   8.4440(3)
_cell_length_b                   15.9411(5)
_cell_length_c                   24.0848(7)
_cell_measurement_reflns_used    9940
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.0135
_cell_measurement_theta_min      2.5805
_cell_volume                     3201.30(18)
_computing_cell_refinement       'bruker smart apexii'
_computing_data_collection       'bruker smart apexii'
_computing_data_reduction        'bruker saint'
_computing_molecular_graphics    wingx
_computing_publication_material  wingx
_computing_structure_refinement  'shelxl-97 (sheldrick, 1997)'
_computing_structure_solution    shelxtl
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.956
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type  'ccd area detector'
_diffrn_measurement_method       'phi scans'
_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  0.0438
_diffrn_reflns_av_sigmaI/netI    0.0595
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            50821
_diffrn_reflns_theta_full        28.31
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         1.29
_exptl_absorpt_coefficient_mu    1.497
_exptl_absorpt_correction_T_max  0.8562
_exptl_absorpt_correction_T_min  0.7332
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.770
_exptl_crystal_description       block
_exptl_crystal_F_000             1688
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.11
_refine_diff_density_max         2.840
_refine_diff_density_min         -2.099
_refine_diff_density_rms         0.175
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.953
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     823
_refine_ls_number_reflns         15221
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.953
_refine_ls_R_factor_all          0.0789
_refine_ls_R_factor_gt           0.0591
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0887P)^2^+26.2287P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1611
_refine_ls_wR_factor_ref         0.1748
_reflns_number_gt                11851
_reflns_number_total             15221
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja303527m_si_002.cif
_cod_data_source_block           p-1
_cod_database_code               4118029