Palladium-Catalyzed Decarboxylative Aza-Michael Addition-Allylation Reactions between Allyl Carbamates and Activated Olefins. Generation of Quaternary Carbon Adjacent to Secondary Amine Carbon Center
Nitin T. Patil; Zhibao Huo; Yoshinori Yamamoto; Journal of Organic Chemistry 71 (2006) 6991–6995; doi:10.1021/jo061110c

data_4021947
_publ_section_title
;
 Palladium-Catalyzed Decarboxylative Aza-Michael Addition-Allylation
 Reactions between Allyl Carbamates and Activated Olefins. Generation
 of Quaternary Carbon Adjacent to Secondary Amine Carbon Center
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6991
_journal_page_last               6995
_journal_paper_doi               10.1021/jo061110c
_journal_volume                  71
_journal_year                    2006
_chemical_formula_moiety         'C22 H18 N2 O3 '
_chemical_formula_sum            'C22 H18 N2 O3'
_chemical_formula_weight         358.40
_space_group_IT_number           33
_space_group_name_Hall           'P 2c -2n'
_space_group_name_H-M_alt        'P n a 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   15.706(5)
_cell_length_b                   8.930(3)
_cell_length_c                   12.969(5)
_cell_measurement_reflns_used    6122
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      26.5
_cell_measurement_theta_min      3.1
_cell_volume                     1818.8(11)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.045
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            23884
_diffrn_reflns_theta_full        26.80
_diffrn_reflns_theta_max         26.80
_exptl_absorpt_coefficient_mu    0.088
_exptl_absorpt_correction_T_max  0.983
_exptl_absorpt_correction_T_min  0.936
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.309
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             752.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.17
_refine_diff_density_min         -0.16
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.994
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     262
_refine_ls_number_reflns         2026
_refine_ls_R_factor_gt           0.0264
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0595
_reflns_number_gt                1854
_reflns_number_total             2026
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            jo061110csi20060602_050311.cif
_cod_original_formula_sum        'C22 H18 N2 O3 '
_cod_database_code               4021947