Synthesis and reactivity of triethylborane adduct of N-heterocyclic carbene: versatile synthons for synthesis of N-heterocyclic carbene complexes
Yamaguchi, Yoshitaka; Kashiwabara, Taigo; Ogata, Kenichi; Miura, Yumiko; Nakamura, Yoshiyuki; Kobayashi, Kimiko; Ito, Takashi; Chemical Communications  (2004) 2160–2161; doi:10.1039/b405459h

data_7111322
_publ_section_title
;
 Synthesis and reactivity of triethylborane adduct of N-heterocyclic
 carbene: versatile synthons for synthesis of N-heterocyclic carbene
 complexes
;
_journal_issue                   19
_journal_name_full               'Chemical Communications'
_journal_page_first              2160
_journal_page_last               2161
_journal_paper_doi               10.1039/b405459h
_journal_year                    2004
_chemical_formula_moiety         'C27 H39 B N2 '
_chemical_formula_sum            'C27 H39 B N2'
_chemical_formula_weight         402.43
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_audit_creation_date             'Tue Nov 25 20:41:04 2003'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.929(10)
_cell_length_b                   17.29(1)
_cell_length_c                   8.511(8)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    173.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.1
_cell_volume                     2491(3)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_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_measured_fraction_theta_full 0.9988
_diffrn_measured_fraction_theta_max 0.9988
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4085
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        2.88
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.061
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.073
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.180
_refine_diff_density_max         0.26
_refine_diff_density_min         -0.27
_refine_ls_abs_structure_Flack   -21.9(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.464
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     272
_refine_ls_number_reflns         3219
_refine_ls_R_factor_gt           0.0618
_refine_ls_shift/su_max          0.0168
_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         0.1732
_reflns_number_gt                1869
_reflns_number_total             3239
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b405459hsup1.cif
_cod_data_source_block           yama2b_IMesBEt3
_cod_original_cell_volume        2490(3)
_cod_original_sg_symbol_H-M      'P 21 21 21   '
_cod_original_formula_sum        'C27 H39 B N2 '
_cod_database_code               7111322