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_4113134
_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         'C26 H25 N3 O6 '
_chemical_formula_sum            'C26 H25 N3 O6'
_chemical_formula_weight         475.50
_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                104.489(4)
_cell_angle_beta                 106.513(1)
_cell_angle_gamma                102.553(2)
_cell_formula_units_Z            2
_cell_length_a                   9.021(1)
_cell_length_b                   11.1799(8)
_cell_length_c                   13.772(2)
_cell_measurement_temperature    294.2
_cell_volume                     1225.5(2)
_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'
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_diffrn_measured_fraction_theta_full 0.9164
_diffrn_measured_fraction_theta_max 0.9164
_diffrn_measurement_device_type  'Quantum CCD/Rigaku AFC7'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_av_R_equivalents  0.024
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10565
_diffrn_reflns_theta_full        27.61
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_exptl_absorpt_coefficient_mu    0.093
_exptl_absorpt_correction_T_max  0.977
_exptl_absorpt_correction_T_min  0.764
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            clear
_exptl_crystal_density_diffrn    1.288
_exptl_crystal_description       block
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_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.250
_refine_diff_density_max         0.31
_refine_diff_density_min         -0.29
_refine_ls_extinction_coef       0.06(3)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 gaussian isotropic'
_refine_ls_goodness_of_fit_ref   2.025
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     317
_refine_ls_number_reflns         5206
_refine_ls_R_factor_gt           0.0681
_refine_ls_shift/su_max          0.0001
_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
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
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_cod_original_cell_volume        1225.6(2)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C26 H25 N3 O6 '
_cod_database_code               4113134