Reactivity of Aryldimesitylboranes under Suzuki−Miyaura Coupling Conditions
Wang, Nan; Hudson, Zachary M.; Wang, Suning; Organometallics 29 (2010) 4007–; doi:10.1021/om1006903

data_4066886
_publ_section_title
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 Reactivity of Aryldimesitylboranes under Suzuki&#x2212;Miyaura Coupling
 Conditions
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_journal_issue                   18
_journal_name_full               Organometallics
_journal_page_first              4007
_journal_paper_doi               10.1021/om1006903
_journal_volume                  29
_journal_year                    2010
_chemical_formula_sum            'C22 H24.67 B0.67'
_chemical_formula_weight         296.29
_chemical_name_systematic
;

 ?

;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                83.122(4)
_cell_angle_beta                 81.769(3)
_cell_angle_gamma                86.749(4)
_cell_formula_units_Z            6
_cell_length_a                   12.395(2)
_cell_length_b                   14.662(2)
_cell_length_c                   15.449(3)
_cell_measurement_reflns_used    1849
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      26.98
_cell_measurement_theta_min      2.30
_cell_volume                     2756.5(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.429
_diffrn_measured_fraction_theta_max 0.429
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w 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  0.0000
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_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5223
_diffrn_reflns_theta_full        27.12
_diffrn_reflns_theta_max         27.12
_diffrn_reflns_theta_min         1.40
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.059
_exptl_absorpt_correction_T_max  0.9824
_exptl_absorpt_correction_T_min  0.9824
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.071
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             960
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1300P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1705
_refine_ls_wR_factor_ref         0.1923
_reflns_number_gt                3697
_reflns_number_total             5223
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om1006903_si_002.cif
_cod_data_source_block           nan2_(Compound_1)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        2756.4(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4066886