Anti-Markovnikov Olefin Arylation Catalyzed by an Iridium Complex
Takaya Matsumoto; Douglas J. Taube; Roy A. Periana; Henry Taube; Hajime Yoshida; Journal of the American Chemical Society 122 (2000) 7414–7415; doi:10.1021/ja0009830

data_4116109
_publ_section_title
;
 Anti-Markovnikov Olefin Arylation Catalyzed by an Iridium Complex
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7414
_journal_page_last               7415
_journal_paper_doi               10.1021/ja0009830
_journal_volume                  122
_journal_year                    2000
_chemical_formula_sum            'C30 H42 Ir2 O12'
_chemical_formula_weight         979.09
_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             'Mon Mar 14 16:21:41 2000'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                93.20(2)
_cell_angle_beta                 96.77(2)
_cell_angle_gamma                98.74(1)
_cell_formula_units_Z            1
_cell_length_a                   8.394(1)
_cell_length_b                   14.177(2)
_cell_length_c                   8.089(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.8
_cell_volume                     942.1(3)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control'
_computing_data_collection       'Rigaku/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    'DIRDIF92 (PATTY)'
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      0.11967
_diffrn_orient_matrix_UB_12      0.02250
_diffrn_orient_matrix_UB_13      0.00791
_diffrn_orient_matrix_UB_21      -0.01810
_diffrn_orient_matrix_UB_22      0.06757
_diffrn_orient_matrix_UB_23      0.02022
_diffrn_orient_matrix_UB_31      0.01108
_diffrn_orient_matrix_UB_32      -0.00711
_diffrn_orient_matrix_UB_33      0.12294
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.022
_diffrn_reflns_av_sigmaI/netI    0.071
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            4612
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         2.54
_diffrn_standards_decay_%        -4.95
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    7.127
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_correction_T_min  0.599
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.726
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             472.00
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.020
_refine_diff_density_max         0.67
_refine_diff_density_min         -0.83
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.741
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     235
_refine_ls_number_reflns         4086
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0349
_refine_ls_R_factor_gt           0.0349
_refine_ls_shift/su_max          0.0310
_refine_ls_shift/su_mean         0.0010
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_gt          0.0375
_refine_ls_wR_factor_ref         0.0375
_reflns_number_gt                4086
_reflns_number_total             4315
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ja0009830.cif
_cod_data_source_block           JA0009830-14-66
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C30 H42 Ir2 O12 '
_cod_database_code               4116109