Palladium-Catalyzed Arylation of α,α-Disubstituted Arylmethanols via Cleavage of a C-C or a C-H Bond To Give Biaryls
Yoshito Terao; Hiroyuki Wakui; Michiyo Nomoto; Tetsuya Satoh; Masahiro Miura; Masakatsu Nomura; Journal of Organic Chemistry 68 (2003) 5236–5243; doi:10.1021/jo0344034

data_4022460
_publ_section_title
;
 Palladium-Catalyzed Arylation of \a,\a-Disubstituted
 Arylmethanols via Cleavage of a C-C or a C-H Bond To Give Biaryls
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5236
_journal_page_last               5243
_journal_paper_doi               10.1021/jo0344034
_journal_volume                  68
_journal_year                    2003
_chemical_formula_moiety         'C29 H28 O '
_chemical_formula_sum            'C29 H28 O'
_chemical_formula_weight         392.54
_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 Feb 17 01:46:16 2003'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                66.96(4)
_cell_angle_beta                 68.77(5)
_cell_angle_gamma                83.88(6)
_cell_formula_units_Z            2
_cell_length_a                   10.222(10)
_cell_length_b                   10.812(9)
_cell_length_c                   12.050(9)
_cell_measurement_reflns_used    2698
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.5
_cell_volume                     1141(1)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.9409
_diffrn_measured_fraction_theta_max 0.9409
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.077
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            340
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.067
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.142
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.31
_refine_diff_density_min         -0.28
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.671
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     355
_refine_ls_number_reflns         4932
_refine_ls_R_factor_gt           0.0795
_refine_ls_shift/su_max          0.0408
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1859
_reflns_number_gt                3128
_reflns_number_total             4932
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            jo0344034rom20030328_021924.cif
_cod_data_source_block           '_wakui4'
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C29 H28 O '
_cod_database_code               4022460