Stereoselective synthesis of multisubstituted butadienes through directed Mizoroki-Heck reaction and homocoupling reaction of vinyl(2-pyridyl)silane.
Itami, Kenichiro; Ushiogi, Yousuke; Nokami, Toshiki; Ohashi, Youichi; Yoshida, Jun-ichi; Organic letters 6 (2004) 3695–3698; doi:10.1021/ol048620i

data_1507016
_publ_section_title
;
 Stereoselective synthesis of multisubstituted butadienes through directed
 Mizoroki-Heck reaction and homocoupling reaction of
 vinyl(2-pyridyl)silane.
;
_journal_issue                   21
_journal_name_full               'Organic letters'
_journal_page_first              3695
_journal_page_last               3698
_journal_paper_doi               10.1021/ol048620i
_journal_volume                  6
_journal_year                    2004
_chemical_formula_moiety         'C16 H19 Cu I N Si '
_chemical_formula_sum            'C16 H19 Cu I N Si'
_chemical_formula_weight         443.87
_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                89.934(4)
_cell_angle_beta                 90.007(6)
_cell_angle_gamma                82.093(2)
_cell_formula_units_Z            5
_cell_length_a                   8.5498(5)
_cell_length_b                   14.413(1)
_cell_length_c                   14.731(2)
_cell_measurement_reflns_used    9473
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      2.0
_cell_volume                     1798.0(3)
_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 0.9170
_diffrn_measured_fraction_theta_max 0.9170
_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  0.035
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            15634
_diffrn_reflns_theta_full        27.40
_diffrn_reflns_theta_max         27.40
_exptl_absorpt_coefficient_mu    3.737
_exptl_absorpt_correction_T_max  0.224
_exptl_absorpt_correction_T_min  0.046
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.050
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          1.00
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.40
_refine_diff_density_max         1.05
_refine_diff_density_min         -1.11
_refine_ls_extinction_coef       301.6(9)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   2.250
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     400
_refine_ls_number_reflns         6446
_refine_ls_R_factor_gt           0.0410
_refine_ls_shift/su_max          0.0020
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0680
_reflns_number_gt                6446
_reflns_number_total             7477
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ol048620isi20040716_105745.cif
_cod_data_source_block           '_nokami18_________________'
_cod_original_cell_volume        1797.9(2)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C16 H19 Cu I N Si '
_cod_database_code               1507016