Nickel-Catalyzedtrans-Alkynylboration of Alkynes via Activation of a Boron-Chlorine Bond
Akihiko Yamamoto; Michinori Suginome; Journal of the American Chemical Society 127 (2005) 15706–15707; doi:10.1021/ja055396z

data_4112068
_publ_section_title
;
 Nickel-Catalyzedtrans-Alkynylboration of Alkynes via Activation of a
 Boron-Chlorine Bond
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              15706
_journal_page_last               15707
_journal_paper_doi               10.1021/ja055396z
_journal_volume                  127
_journal_year                    2005
_chemical_formula_moiety         'C24 H45 B Cl N O Ni P2 '
_chemical_formula_sum            'C24 H45 B Cl N Ni O P2'
_chemical_formula_weight         530.54
_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'
_cell_angle_alpha                103.30(2)
_cell_angle_beta                 103.09(2)
_cell_angle_gamma                111.77(1)
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_cell_length_b                   11.740(5)
_cell_length_c                   14.711(7)
_cell_measurement_reflns_used    12581
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     1469.6(12)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 2.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9880
_diffrn_measured_fraction_theta_max 0.9880
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.016
_diffrn_reflns_limit_h_max       12
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_diffrn_reflns_limit_k_min       -15
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_diffrn_reflns_limit_l_min       -19
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_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.875
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.199
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.50
_refine_diff_density_min         -0.45
_refine_ls_extinction_coef       -60.4(10)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   2.297
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     434
_refine_ls_number_reflns         5162
_refine_ls_R_factor_gt           0.0280
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(Fo)'
_refine_ls_weighting_scheme      sigma
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
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_cod_data_source_block           '_AY1986'
_cod_original_cell_volume        1469.5(1)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C24 H45 B Cl N O Ni P2 '
_cod_database_code               4112068