Palladium(II)-Catalyzed Asymmetric Coupling of Allylic Alcohols and Vinyl Ethers: Insight into the Palladium and Copper Bimetallic Catalyst
Yasufumi Kawamura; Yasuhiro Kawano; Tomohiro Matsuda; Yûta Ishitobi; Takahiro Hosokawa; Journal of Organic Chemistry 74 (2009) 3048–3053; doi:10.1021/jo802807w

data_4024465
_publ_contact_author_email       hosokawa.takahiro@kochi-tech.ac.jp
_publ_contact_author_fax         +887-57-2520
_publ_contact_author_name        'Takahiro Hosokawa'
_publ_contact_author_phone       +887-57-2517
_publ_section_title
;
Palladium(II)-Catalyzed Asymmetric Coupling of Allylic Alcohols and Vinyl
Ethers: Insight into the Palladium and Copper Bimetallic Catalyst
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3048
_journal_page_last               3053
_journal_paper_doi               10.1021/jo802807w
_journal_volume                  74
_journal_year                    2009
_chemical_absolute_configuration 'CHOOSE rm ad rmad syn or unk'
_chemical_formula_moiety         'C26 H28 N2 O3 '
_chemical_formula_sum            'C26 H28 N2 O3'
_chemical_formula_weight         416.52
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_creation_date             2008-05-05
_audit_creation_method           'by CrystalStructure 3.8'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.5905(15)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   13.0005(3)
_cell_length_b                   4.73152(11)
_cell_length_c                   17.4577(4)
_cell_measurement_reflns_used    11725
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      68.2
_cell_measurement_theta_min      3.4
_cell_volume                     1073.80(4)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.025
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            12712
_diffrn_reflns_theta_full        68.25
_diffrn_reflns_theta_max         68.25
_exptl_absorpt_coefficient_mu    0.674
_exptl_absorpt_correction_T_max  0.967
_exptl_absorpt_correction_T_min  0.863
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.288
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             444.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.03
_refine_diff_density_min         -0.53
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  1579 Friedel Pairs'
_refine_ls_abs_structure_Flack   0.0(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     282
_refine_ls_number_reflns         3801
_refine_ls_R_factor_gt           0.0785
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1442P)^2^+0.9079P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2294
_reflns_number_gt                3569
_reflns_number_total             3801
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            jo802807w_si_001.cif
_cod_data_source_block           '_(R,2S)-8'
_cod_original_formula_sum        'C26 H28 N2 O3 '
_cod_database_code               4024465