Highly Stereo- and Regioselective Ni-Catalyzed Homoallylation of Aldimines with Conjugated Dienes Promoted by Diethylzinc
Masanari Kimura; Atsuko Miyachi; Keisuke Kojima; Shuji Tanaka; Yoshinao Tamaru; Journal of the American Chemical Society 126 (2004) 14360–14361; doi:10.1021/ja0450354

data_4113136
_publ_section_title
;
 Highly Stereo- and Regioselective Ni-Catalyzed Homoallylation of
 Aldimines with Conjugated Dienes Promoted by Diethylzinc
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14360
_journal_page_last               14361
_journal_paper_doi               10.1021/ja0450354
_journal_volume                  126
_journal_year                    2004
_chemical_formula_moiety         'C23 H27 N3 O6 '
_chemical_formula_sum            'C23 H27 N3 O6'
_chemical_formula_weight         441.48
_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                81.769(3)
_cell_angle_beta                 79.671(2)
_cell_angle_gamma                65.0219(8)
_cell_formula_units_Z            2
_cell_length_a                   9.870(1)
_cell_length_b                   11.484(1)
_cell_length_c                   11.648(1)
_cell_measurement_temperature    296.2
_cell_volume                     1174.01(19)
_computing_cell_refinement       D*TREK
_computing_data_collection       D*TREK
_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 0.9245
_diffrn_measured_fraction_theta_max 0.9245
_diffrn_measurement_device_type  'Quantum CCD/Rigaku AFC7'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10092
_diffrn_reflns_theta_full        27.50
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_exptl_absorpt_correction_T_max  0.973
_exptl_absorpt_correction_T_min  0.642
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            clear
_exptl_crystal_density_diffrn    1.249
_exptl_crystal_description       block
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_exptl_crystal_size_min          0.300
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_refine_diff_density_min         -0.21
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     289
_refine_ls_number_reflns         4962
_refine_ls_R_factor_gt           0.0540
_refine_ls_shift/su_max          0.0002
_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         0.1724
_reflns_number_gt                3416
_reflns_number_total             4962
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja0450354si20040902_123618.cif
_cod_data_source_block           0520
_cod_original_cell_volume        1174.0(2)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C23 H27 N3 O6 '
_cod_database_code               4113136