Cross-Coupling Reaction of α-Chloroketones and Organotin Enolates Catalyzed by Zinc Halides for Synthesis of γ-Diketones
Makoto Yasuda; Shoki Tsuji; Yusuke Shigeyoshi; Akio Baba; Journal of the American Chemical Society 124 (2002) 7440–7447; doi:10.1021/ja0258172

data_4114903
_publ_contact_author_address
;
    Department of Molecular Chemistry
    Graduate School of Engineering
    Osaka University
    2-1 Yamadaoka
    Suita Osaka 565-0871
    Japan
;
_publ_contact_author_email       ' baba@ap.chem.eng.osaka-u.ac.jp '
_publ_contact_author_fax         ' 81(6)68797387 '
_publ_contact_author_name        ' Dr Akio Baba'
_publ_contact_author_phone       ' 81(6)68797386 '
_publ_section_title
;
 Cross-Coupling Reaction of \a-Chloroketones and Organotin Enolates
 Catalyzed by Zinc Halides for Synthesis of \g-Diketones
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7440
_journal_page_last               7447
_journal_paper_doi               10.1021/ja0258172
_journal_volume                  124
_journal_year                    2002
_chemical_formula_moiety         'C18 H24 O2 '
_chemical_formula_sum            'C18 H24 O2'
_chemical_formula_weight         272.39
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             'Thu Jan 31 21:20:50 2002'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 113.83(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.958(6)
_cell_length_b                   6.429(3)
_cell_length_c                   16.963(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      13.7
_cell_measurement_theta_min      13.2
_cell_volume                     1591.9(11)
_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    SHELXS86
_diffrn_measured_fraction_theta_full 1.0000
_diffrn_measured_fraction_theta_max 1.0000
_diffrn_measurement_device_type  'Rigaku AFC5R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.021
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            4164
_diffrn_reflns_theta_full        27.58
_diffrn_reflns_theta_max         27.58
_diffrn_standards_decay_%        0.27
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.072
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.136
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.23
_refine_diff_density_min         -0.18
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.841
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     320
_refine_ls_number_reflns         1568
_refine_ls_R_factor_gt           0.0669
_refine_ls_shift/su_max          5.4934
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0586
_reflns_number_gt                1568
_reflns_number_total             3692
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            ja0258172_s2.cif
_cod_data_source_block           3ai
_cod_original_cell_volume        1592.1(9)
_cod_original_formula_sum        'C18 H24 O2 '
_cod_database_code               4114903